CID 193432

2-amino-3-phenyl-2-propenoic acid

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1=CC=C(C=C1)C=C(C(=O)O)N
InChI
InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)
InChIKey
YWIQQKOKNPPGDO-UHFFFAOYSA-N
Compound name
2-amino-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

57
References

697
Patents

163.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 134.1
[M+Na]+ 186.05254 140.3
[M-H]- 162.05604 135.9
[M+NH4]+ 181.09714 153.2
[M+K]+ 202.02648 137.8
[M+H-H2O]+ 146.06058 128.4
[M+HCOO]- 208.06152 156.4
[M+CH3COO]- 222.07717 176.2
[M+Na-2H]- 184.03799 138.5
[M]+ 163.06277 130.4
[M]- 163.06387 130.4
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