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]+ 242.113536 152.8
[M+Na]+ 264.095478 160.2
[M-H]- 240.098984 153.6
[M+NH4]+ 259.140083 168.5
[M+K]+ 280.069418 158.5
[M+H-H2O]+ 224.103520 145.2
[M+HCOO]- 286.104461 170.2
[M+CH3COO]- 300.120111 185.4
[M+Na-2H]- 262.080926 151.8
[M]+ 241.10571142 152.5
[M]- 241.10680858 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.