CID 409140

Benzyl 2-aminoacetate hydrochloride

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1=CC=C(C=C1)COC(=O)CN
InChI
InChI=1S/C9H11NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7,10H2
InChIKey
JXYACYYPACQCDM-UHFFFAOYSA-N
Compound name
benzyl 2-aminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6284
Patents

165.07898 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.3
[M+Na]+ 188.06820 140.9
[M-H]- 164.07170 137.4
[M+NH4]+ 183.11280 154.2
[M+K]+ 204.04214 139.5
[M+H-H2O]+ 148.07624 128.2
[M+HCOO]- 210.07718 159.0
[M+CH3COO]- 224.09283 178.8
[M+Na-2H]- 186.05365 140.5
[M]+ 165.07843 133.9
[M]- 165.07953 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe