CID 131500388

Methyl 4-(hydroxymethyl)-1h-1,2,3-triazole-5-carboxylate

Structural Information

Molecular Formula
C5H7N3O3
SMILES
COC(=O)C1=NNN=C1CO
InChI
InChI=1S/C5H7N3O3/c1-11-5(10)4-3(2-9)6-8-7-4/h9H,2H2,1H3,(H,6,7,8)
InChIKey
SWPNZYZVKQOSMO-UHFFFAOYSA-N
Compound name
methyl 5-(hydroxymethyl)-2H-triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.04874 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.056016 130.3
[M+Na]+ 180.037958 139.3
[M-H]- 156.041464 127.7
[M+NH4]+ 175.082563 147.6
[M+K]+ 196.011898 137.9
[M+H-H2O]+ 140.046000 123.2
[M+HCOO]- 202.046941 149.8
[M+CH3COO]- 216.062591 169.0
[M+Na-2H]- 178.023406 135.1
[M]+ 157.04819142 130.4
[M]- 157.04928858 130.4
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.