CID 82784269

1555640-54-4

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC(C)(C)N1C2=C(C=CC(=C2)C(=O)O)N=N1
InChI
InChI=1S/C11H13N3O2/c1-11(2,3)14-9-6-7(10(15)16)4-5-8(9)12-13-14/h4-6H,1-3H3,(H,15,16)
InChIKey
CSLIEMRBRUXNFR-UHFFFAOYSA-N
Compound name
3-tert-butylbenzotriazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 149.4
[M+Na]+ 242.08999 160.2
[M-H]- 218.09349 149.8
[M+NH4]+ 237.13459 166.6
[M+K]+ 258.06393 157.1
[M+H-H2O]+ 202.09803 142.5
[M+HCOO]- 264.09897 167.9
[M+CH3COO]- 278.11462 186.2
[M+Na-2H]- 240.07544 155.7
[M]+ 219.10022 152.4
[M]- 219.10132 152.4
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.