CID 97415

Glycyl-dl-phenylalanine

Structural Information

Molecular Formula
C11H14N2O3
SMILES
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN
InChI
InChI=1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)
InChIKey
JBCLFWXMTIKCCB-UHFFFAOYSA-N
Compound name
2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

79687
Patents

222.10045 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 150.1
[M+Na]+ 245.08967 154.1
[M-H]- 221.09317 151.4
[M+NH4]+ 240.13427 166.2
[M+K]+ 261.06361 152.4
[M+H-H2O]+ 205.09771 143.2
[M+HCOO]- 267.09865 172.0
[M+CH3COO]- 281.11430 190.6
[M+Na-2H]- 243.07512 152.5
[M]+ 222.09990 147.1
[M]- 222.10100 147.1
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