CID 139026659

Methyl 4-(2-aminoacetyl)-2-methylbenzoate hydrochloride

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC1=C(C=CC(=C1)C(=O)CN)C(=O)OC
InChI
InChI=1S/C11H13NO3/c1-7-5-8(10(13)6-12)3-4-9(7)11(14)15-2/h3-5H,6,12H2,1-2H3
InChIKey
WTUILMKHCLQLHP-UHFFFAOYSA-N
Compound name
methyl 4-(2-aminoacetyl)-2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 144.5
[M+Na]+ 230.078758 152.0
[M-H]- 206.082264 148.1
[M+NH4]+ 225.123363 163.1
[M+K]+ 246.052698 150.7
[M+H-H2O]+ 190.086800 138.4
[M+HCOO]- 252.087741 167.9
[M+CH3COO]- 266.103391 189.4
[M+Na-2H]- 228.064206 147.0
[M]+ 207.08899142 145.7
[M]- 207.09008858 145.7
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.