CID 10703415

(2e)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
CNC(=O)C1=CC=C(C=C1)/C=C/C(=O)O
InChI
InChI=1S/C11H11NO3/c1-12-11(15)9-5-2-8(3-6-9)4-7-10(13)14/h2-7H,1H3,(H,12,15)(H,13,14)/b7-4+
InChIKey
DPBKEHKMLPTJFE-QPJJXVBHSA-N
Compound name
(E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

51
Patents

205.0739 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 144.0
[M+Na]+ 228.063118 150.5
[M-H]- 204.066624 146.3
[M+NH4]+ 223.107723 161.9
[M+K]+ 244.037058 147.9
[M+H-H2O]+ 188.071160 137.9
[M+HCOO]- 250.072101 166.7
[M+CH3COO]- 264.087751 184.7
[M+Na-2H]- 226.048566 147.7
[M]+ 205.07335142 143.1
[M]- 205.07444858 143.1
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