CID 139597591

Dtxsid701028559

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC(C1=CC=C(C=C1)NC(=O)N(C)C)C(=O)O
InChI
InChI=1S/C12H16N2O3/c1-8(11(15)16)9-4-6-10(7-5-9)13-12(17)14(2)3/h4-8H,1-3H3,(H,13,17)(H,15,16)
InChIKey
WDEKGWALVIFFIH-UHFFFAOYSA-N
Compound name
2-[4-(dimethylcarbamoylamino)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 154.3
[M+Na]+ 259.10531 162.7
[M+NH4]+ 254.14991 160.1
[M+K]+ 275.07925 159.6
[M-H]- 235.10881 155.1
[M+Na-2H]- 257.09076 158.2
[M]+ 236.11554 155.2
[M]- 236.11664 155.2
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

No patent data available for this compound.