CID 73778

Dtxsid701305412

Structural Information

Molecular Formula
C11H13NO2
SMILES
CN(C)C1=CC=C(C=C1)C=CC(=O)O
InChI
InChI=1S/C11H13NO2/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14/h3-8H,1-2H3,(H,13,14)
InChIKey
CQNPVMCASGWEHM-UHFFFAOYSA-N
Compound name
3-[4-(dimethylamino)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

814
Patents

191.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.5
[M+Na]+ 214.08386 148.2
[M-H]- 190.08736 145.3
[M+NH4]+ 209.12846 160.8
[M+K]+ 230.05780 146.6
[M+H-H2O]+ 174.09190 135.4
[M+HCOO]- 236.09284 165.3
[M+CH3COO]- 250.10849 186.7
[M+Na-2H]- 212.06931 145.7
[M]+ 191.09409 141.9
[M]- 191.09519 141.9
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.