CID 512770

2-[(1s,3r,4r)-3-(4-carbamoyltriazol-1-yl)-4-hydroxy-cyclopentyl]ethylphosphonic acid

Structural Information

Molecular Formula
C10H17N4O5P
SMILES
C1[C@@H](C[C@H]([C@@H]1N2C=C(N=N2)C(=O)N)O)CCP(=O)(O)O
InChI
InChI=1S/C10H17N4O5P/c11-10(16)7-5-14(13-12-7)8-3-6(4-9(8)15)1-2-20(17,18)19/h5-6,8-9,15H,1-4H2,(H2,11,16)(H2,17,18,19)/t6-,8+,9+/m0/s1
InChIKey
QODYTHWJXDXNPP-NBEYISGCSA-N
Compound name
2-[(1S,3R,4R)-3-(4-carbamoyltriazol-1-yl)-4-hydroxycyclopentyl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.09366 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10094 166.1
[M+Na]+ 327.08288 170.8
[M-H]- 303.08638 164.0
[M+NH4]+ 322.12748 177.9
[M+K]+ 343.05682 169.2
[M+H-H2O]+ 287.09092 156.5
[M+HCOO]- 349.09186 185.8
[M+CH3COO]- 363.10751 197.4
[M+Na-2H]- 325.06833 162.4
[M]+ 304.09311 163.0
[M]- 304.09421 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.