CID 28897450

3-[(2-methoxy-5-methylphenyl)amino]propanoic acid

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC1=CC(=C(C=C1)OC)NCCC(=O)O
InChI
InChI=1S/C11H15NO3/c1-8-3-4-10(15-2)9(7-8)12-6-5-11(13)14/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)
InChIKey
PQMZFTXBFKYCMC-UHFFFAOYSA-N
Compound name
3-(2-methoxy-5-methylanilino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 145.4
[M+Na]+ 232.09442 152.4
[M-H]- 208.09792 147.9
[M+NH4]+ 227.13902 163.5
[M+K]+ 248.06836 150.6
[M+H-H2O]+ 192.10246 139.3
[M+HCOO]- 254.10340 168.7
[M+CH3COO]- 268.11905 188.1
[M+Na-2H]- 230.07987 149.7
[M]+ 209.10465 147.2
[M]- 209.10575 147.2
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.