CID 62060248

1267130-56-2

Structural Information

Molecular Formula
C7H11N3O2
SMILES
CC(C)CN1C=C(N=N1)C(=O)O
InChI
InChI=1S/C7H11N3O2/c1-5(2)3-10-4-6(7(11)12)8-9-10/h4-5H,3H2,1-2H3,(H,11,12)
InChIKey
XBPGVWVFWCBSIY-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.08513 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 135.7
[M+Na]+ 192.07435 144.1
[M-H]- 168.07785 134.4
[M+NH4]+ 187.11895 153.3
[M+K]+ 208.04829 143.2
[M+H-H2O]+ 152.08239 128.4
[M+HCOO]- 214.08333 154.9
[M+CH3COO]- 228.09898 177.0
[M+Na-2H]- 190.05980 138.9
[M]+ 169.08458 136.6
[M]- 169.08568 136.6
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

patents stripe