CID 115339374

1544913-84-9

Structural Information

Molecular Formula
C12H13NO3
SMILES
C=CC(=O)NC1=CC=C(C=C1)CCC(=O)O
InChI
InChI=1S/C12H13NO3/c1-2-11(14)13-10-6-3-9(4-7-10)5-8-12(15)16/h2-4,6-7H,1,5,8H2,(H,13,14)(H,15,16)
InChIKey
CWFSSDNMEXQXJY-UHFFFAOYSA-N
Compound name
3-[4-(prop-2-enoylamino)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 148.4
[M+Na]+ 242.07876 154.4
[M-H]- 218.08226 150.5
[M+NH4]+ 237.12336 165.6
[M+K]+ 258.05270 151.6
[M+H-H2O]+ 202.08680 142.1
[M+HCOO]- 264.08774 170.7
[M+CH3COO]- 278.10339 188.4
[M+Na-2H]- 240.06421 151.6
[M]+ 219.08899 147.9
[M]- 219.09009 147.9
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

No patent data available for this compound.