CID 512768

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

Structural Information

Molecular Formula
C9H15N5O3
SMILES
C1[C@@H](C[C@H]([C@@H]1N2C(=C(N=N2)C(=O)N)N)O)CO
InChI
InChI=1S/C9H15N5O3/c10-8-7(9(11)17)12-13-14(8)5-1-4(3-15)2-6(5)16/h4-6,15-16H,1-3,10H2,(H2,11,17)/t4-,5+,6+/m0/s1
InChIKey
UFAJARQKHRXLPQ-KVQBGUIXSA-N
Compound name
5-amino-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

241.1175 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12478 152.3
[M+Na]+ 264.10672 159.2
[M-H]- 240.11022 152.8
[M+NH4]+ 259.15132 167.0
[M+K]+ 280.08066 156.6
[M+H-H2O]+ 224.11476 144.4
[M+HCOO]- 286.11570 170.7
[M+CH3COO]- 300.13135 191.7
[M+Na-2H]- 262.09217 150.4
[M]+ 241.11695 147.4
[M]- 241.11805 147.4
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.