CID 512766

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

Structural Information

Molecular Formula
C10H15N3O4
SMILES
COC(=O)C1=CN(N=N1)[C@@H]2C[C@@H](C[C@H]2O)CO
InChI
InChI=1S/C10H15N3O4/c1-17-10(16)7-4-13(12-11-7)8-2-6(5-14)3-9(8)15/h4,6,8-9,14-15H,2-3,5H2,1H3/t6-,8+,9+/m0/s1
InChIKey
IIOHAMHXVVNXLW-NBEYISGCSA-N
Compound name
methyl 1-[(1R,2R,4S)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.10626 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 152.8
[M+Na]+ 264.09548 160.2
[M-H]- 240.09898 153.6
[M+NH4]+ 259.14008 168.5
[M+K]+ 280.06942 158.5
[M+H-H2O]+ 224.10352 145.2
[M+HCOO]- 286.10446 170.2
[M+CH3COO]- 300.12011 185.4
[M+Na-2H]- 262.08093 151.8
[M]+ 241.10571 152.5
[M]- 241.10681 152.5
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.