CID 28604391

4-[methyl(propan-2-yl)amino]benzoic acid hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC(C)N(C)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H15NO2/c1-8(2)12(3)10-6-4-9(5-7-10)11(13)14/h4-8H,1-3H3,(H,13,14)
InChIKey
RQVMZADDCWUOBG-UHFFFAOYSA-N
Compound name
4-[methyl(propan-2-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 142.7
[M+Na]+ 216.09950 148.8
[M-H]- 192.10300 146.5
[M+NH4]+ 211.14410 161.9
[M+K]+ 232.07344 148.3
[M+H-H2O]+ 176.10754 136.6
[M+HCOO]- 238.10848 165.3
[M+CH3COO]- 252.12413 189.2
[M+Na-2H]- 214.08495 145.7
[M]+ 193.10973 143.3
[M]- 193.11083 143.3
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