CID 58804878

Methyl 4-(2-aminoacetyl)benzoate hydrochloride

Structural Information

Molecular Formula
C10H11NO3
SMILES
COC(=O)C1=CC=C(C=C1)C(=O)CN
InChI
InChI=1S/C10H11NO3/c1-14-10(13)8-4-2-7(3-5-8)9(12)6-11/h2-5H,6,11H2,1H3
InChIKey
UCXYUTYDNUMEKZ-UHFFFAOYSA-N
Compound name
methyl 4-(2-aminoacetyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

193.0739 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 140.5
[M+Na]+ 216.06312 147.5
[M-H]- 192.06662 143.9
[M+NH4]+ 211.10772 159.3
[M+K]+ 232.03706 146.3
[M+H-H2O]+ 176.07116 134.3
[M+HCOO]- 238.07210 164.2
[M+CH3COO]- 252.08775 185.1
[M+Na-2H]- 214.04857 144.2
[M]+ 193.07335 140.9
[M]- 193.07445 140.9
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