CID 13222182

2-amino-5-tert-butylbenzoic acid

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(C)(C)C1=CC(=C(C=C1)N)C(=O)O
InChI
InChI=1S/C11H15NO2/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6H,12H2,1-3H3,(H,13,14)
InChIKey
ULCQYHAVDRBIAG-UHFFFAOYSA-N
Compound name
2-amino-5-tert-butylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

193.11028 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 142.8
[M+Na]+ 216.09950 150.5
[M-H]- 192.10300 145.3
[M+NH4]+ 211.14410 161.7
[M+K]+ 232.07344 148.2
[M+H-H2O]+ 176.10754 137.8
[M+HCOO]- 238.10848 163.7
[M+CH3COO]- 252.12413 185.0
[M+Na-2H]- 214.08495 146.8
[M]+ 193.10973 141.6
[M]- 193.11083 141.6
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

patents stripe