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]+ 220.108046 149.4
[M+Na]+ 242.089988 160.2
[M-H]- 218.093494 149.8
[M+NH4]+ 237.134593 166.6
[M+K]+ 258.063928 157.1
[M+H-H2O]+ 202.098030 142.5
[M+HCOO]- 264.098971 167.9
[M+CH3COO]- 278.114621 186.2
[M+Na-2H]- 240.075436 155.7
[M]+ 219.10022142 152.4
[M]- 219.10131858 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.