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]+ 210.112476 145.4
[M+Na]+ 232.094418 152.4
[M-H]- 208.097924 147.9
[M+NH4]+ 227.139023 163.5
[M+K]+ 248.068358 150.6
[M+H-H2O]+ 192.102460 139.3
[M+HCOO]- 254.103401 168.7
[M+CH3COO]- 268.119051 188.1
[M+Na-2H]- 230.079866 149.7
[M]+ 209.10465142 147.2
[M]- 209.10574858 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.