CID 512769

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

Structural Information

Molecular Formula
C11H18N3O6P
SMILES
COC(=O)C1=CN(N=N1)[C@@H]2C[C@@H](C[C@H]2O)CCP(=O)(O)O
InChI
InChI=1S/C11H18N3O6P/c1-20-11(16)8-6-14(13-12-8)9-4-7(5-10(9)15)2-3-21(17,18)19/h6-7,9-10,15H,2-5H2,1H3,(H2,17,18,19)/t7-,9+,10+/m0/s1
InChIKey
ZWFRDUGCTSOVLG-FXBDTBDDSA-N
Compound name
2-[(1S,3R,4R)-3-hydroxy-4-(4-methoxycarbonyltriazol-1-yl)cyclopentyl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.09332 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10060 169.7
[M+Na]+ 342.08254 174.8
[M-H]- 318.08604 167.9
[M+NH4]+ 337.12714 181.6
[M+K]+ 358.05648 173.9
[M+H-H2O]+ 302.09058 160.4
[M+HCOO]- 364.09152 188.9
[M+CH3COO]- 378.10717 197.1
[M+Na-2H]- 340.06799 166.1
[M]+ 319.09277 170.0
[M]- 319.09387 170.0
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.