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]+ 227.11388 149.2
[M+Na]+ 249.09582 156.1
[M-H]- 225.09932 149.6
[M+NH4]+ 244.14042 164.8
[M+K]+ 265.06976 153.8
[M+H-H2O]+ 209.10386 141.3
[M+HCOO]- 271.10480 167.1
[M+CH3COO]- 285.12045 185.5
[M+Na-2H]- 247.08127 148.2
[M]+ 226.10605 145.5
[M]- 226.10715 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.