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]+ 208.09682 144.5
[M+Na]+ 230.07876 152.0
[M-H]- 206.08226 148.1
[M+NH4]+ 225.12336 163.1
[M+K]+ 246.05270 150.7
[M+H-H2O]+ 190.08680 138.4
[M+HCOO]- 252.08774 167.9
[M+CH3COO]- 266.10339 189.4
[M+Na-2H]- 228.06421 147.0
[M]+ 207.08899 145.7
[M]- 207.09009 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.