CID 13052307

Methyl 2-amino-5-(propan-2-yl)benzoate hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

193.11028 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 142.9
[M+Na]+ 216.099498 150.3
[M-H]- 192.103004 146.5
[M+NH4]+ 211.144103 162.3
[M+K]+ 232.073438 149.0
[M+H-H2O]+ 176.107540 137.0
[M+HCOO]- 238.108481 165.9
[M+CH3COO]- 252.124131 188.1
[M+Na-2H]- 214.084946 145.4
[M]+ 193.10973142 143.4
[M]- 193.11082858 143.4
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

patents stripe