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]+ 305.100936 166.1
[M+Na]+ 327.082878 170.8
[M-H]- 303.086384 164.0
[M+NH4]+ 322.127483 177.9
[M+K]+ 343.056818 169.2
[M+H-H2O]+ 287.090920 156.5
[M+HCOO]- 349.091861 185.8
[M+CH3COO]- 363.107511 197.4
[M+Na-2H]- 325.068326 162.4
[M]+ 304.09311142 163.0
[M]- 304.09420858 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

literature stripe

Patent stripe

No patent data available for this compound.