CID 121552256

1-(4-aminobutyl)-1h-1,2,3-triazole-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H12N4O2
SMILES
C1=C(N=NN1CCCCN)C(=O)O
InChI
InChI=1S/C7H12N4O2/c8-3-1-2-4-11-5-6(7(12)13)9-10-11/h5H,1-4,8H2,(H,12,13)
InChIKey
AUJSXYVRDHPBCH-UHFFFAOYSA-N
Compound name
1-(4-aminobutyl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.09602 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.103296 139.5
[M+Na]+ 207.085238 147.1
[M-H]- 183.088744 137.4
[M+NH4]+ 202.129843 155.8
[M+K]+ 223.059178 145.2
[M+H-H2O]+ 167.093280 131.4
[M+HCOO]- 229.094221 160.0
[M+CH3COO]- 243.109871 180.5
[M+Na-2H]- 205.070686 143.2
[M]+ 184.09547142 139.1
[M]- 184.09656858 139.1
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.