CID 709625

Cinnamoylglycine

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NCC(=O)O
InChI
InChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+
InChIKey
YAADMLWHGMUGQL-VOTSOKGWSA-N
Compound name
2-[[(E)-3-phenylprop-2-enoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

191
Patents

205.0739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 144.6
[M+Na]+ 228.063118 150.1
[M-H]- 204.066624 146.5
[M+NH4]+ 223.107723 162.1
[M+K]+ 244.037058 147.5
[M+H-H2O]+ 188.071160 138.2
[M+HCOO]- 250.072101 167.3
[M+CH3COO]- 264.087751 183.5
[M+Na-2H]- 226.048566 149.0
[M]+ 205.07335142 143.3
[M]- 205.07444858 143.3
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