CID 2913712

3-benzotriazol-1-yl-2-methyl-propionic acid

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CC(CN1C2=CC=CC=C2N=N1)C(=O)O
InChI
InChI=1S/C10H11N3O2/c1-7(10(14)15)6-13-9-5-3-2-4-8(9)11-12-13/h2-5,7H,6H2,1H3,(H,14,15)
InChIKey
DQDZZJOQSXHOES-UHFFFAOYSA-N
Compound name
3-(benzotriazol-1-yl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

205.08513 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 143.0
[M+Na]+ 228.07435 155.2
[M+NH4]+ 223.11895 149.6
[M+K]+ 244.04829 152.3
[M-H]- 204.07785 142.1
[M+Na-2H]- 226.05980 148.1
[M]+ 205.08458 144.2
[M]- 205.08568 144.2
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.