CID 137949025

2138414-33-0

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(C)CC1=C(C=CC(=C1)C(=O)O)N
InChI
InChI=1S/C11H15NO2/c1-7(2)5-9-6-8(11(13)14)3-4-10(9)12/h3-4,6-7H,5,12H2,1-2H3,(H,13,14)
InChIKey
VWFWBYXEYMGIKQ-UHFFFAOYSA-N
Compound name
4-amino-3-(2-methylpropyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.4
[M+Na]+ 216.09950 150.3
[M-H]- 192.10300 145.5
[M+NH4]+ 211.14410 161.9
[M+K]+ 232.07344 148.0
[M+H-H2O]+ 176.10754 137.7
[M+HCOO]- 238.10848 164.8
[M+CH3COO]- 252.12413 186.3
[M+Na-2H]- 214.08495 145.3
[M]+ 193.10973 142.0
[M]- 193.11083 142.0
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.