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
4
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]+ 237.123366 154.0
[M+Na]+ 259.105308 158.8
[M-H]- 235.108814 157.7
[M+NH4]+ 254.149913 170.9
[M+K]+ 275.079248 158.7
[M+H-H2O]+ 219.113350 147.2
[M+HCOO]- 281.114291 176.7
[M+CH3COO]- 295.129941 198.2
[M+Na-2H]- 257.090756 155.5
[M]+ 236.11554142 154.1
[M]- 236.11663858 154.1
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

No patent data available for this compound.