CID 2736690

306935-41-1

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CC(C)N1C2=C(C=C(C=C2)C(=O)O)N=N1
InChI
InChI=1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15)
InChIKey
RUTVRAJKELSHCC-UHFFFAOYSA-N
Compound name
1-propan-2-ylbenzotriazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

153
Patents

205.08513 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.092406 143.2
[M+Na]+ 228.074348 153.6
[M-H]- 204.077854 143.5
[M+NH4]+ 223.118953 160.7
[M+K]+ 244.048288 150.8
[M+H-H2O]+ 188.082390 135.8
[M+HCOO]- 250.083331 162.7
[M+CH3COO]- 264.098981 184.4
[M+Na-2H]- 226.059796 148.1
[M]+ 205.08458142 145.9
[M]- 205.08567858 145.9
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