CID 20292245

60034-83-5

Structural Information

Molecular Formula
C11H15NO3
SMILES
COC1=CC=C(C=C1)NCCCC(=O)O
InChI
InChI=1S/C11H15NO3/c1-15-10-6-4-9(5-7-10)12-8-2-3-11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)
InChIKey
LXPFLIUKOLTAIJ-UHFFFAOYSA-N
Compound name
4-(4-methoxyanilino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

209.1052 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 145.8
[M+Na]+ 232.094418 151.8
[M-H]- 208.097924 147.9
[M+NH4]+ 227.139023 163.6
[M+K]+ 248.068358 149.9
[M+H-H2O]+ 192.102460 139.4
[M+HCOO]- 254.103401 169.1
[M+CH3COO]- 268.119051 186.9
[M+Na-2H]- 230.079866 150.7
[M]+ 209.10465142 147.1
[M]- 209.10574858 147.1
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

patents stripe