CID 1201471

Dimethyl-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H7N3O2
SMILES
CC1=C(N=NN1C)C(=O)O
InChI
InChI=1S/C5H7N3O2/c1-3-4(5(9)10)6-7-8(3)2/h1-2H3,(H,9,10)
InChIKey
CTIOCGQJYWNIBA-UHFFFAOYSA-N
Compound name
1,5-dimethyltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

141.05383 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 126.2
[M+Na]+ 164.04305 136.7
[M-H]- 140.04655 125.4
[M+NH4]+ 159.08765 145.3
[M+K]+ 180.01699 135.7
[M+H-H2O]+ 124.05109 119.5
[M+HCOO]- 186.05203 147.0
[M+CH3COO]- 200.06768 171.3
[M+Na-2H]- 162.02850 130.9
[M]+ 141.05328 127.3
[M]- 141.05438 127.3
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

patents stripe