CID 512767

1-[(1r,2r,4s)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide

Structural Information

Molecular Formula
C9H14N4O3
SMILES
C1[C@@H](C[C@H]([C@@H]1N2C=C(N=N2)C(=O)N)O)CO
InChI
InChI=1S/C9H14N4O3/c10-9(16)6-3-13(12-11-6)7-1-5(4-14)2-8(7)15/h3,5,7-8,14-15H,1-2,4H2,(H2,10,16)/t5-,7+,8+/m0/s1
InChIKey
MOZVYGRHXLVSPA-UIISKDMLSA-N
Compound name
1-[(1R,2R,4S)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.1066 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.113876 149.2
[M+Na]+ 249.095818 156.1
[M-H]- 225.099324 149.6
[M+NH4]+ 244.140423 164.8
[M+K]+ 265.069758 153.8
[M+H-H2O]+ 209.103860 141.3
[M+HCOO]- 271.104801 167.1
[M+CH3COO]- 285.120451 185.5
[M+Na-2H]- 247.081266 148.2
[M]+ 226.10605142 145.5
[M]- 226.10714858 145.5
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.