CID 3025528

Valeric acid, 5-(p-aminophenoxy)-

Structural Information

Molecular Formula
C11H15NO3
SMILES
C1=CC(=CC=C1N)OCCCCC(=O)O
InChI
InChI=1S/C11H15NO3/c12-9-4-6-10(7-5-9)15-8-2-1-3-11(13)14/h4-7H,1-3,8,12H2,(H,13,14)
InChIKey
GYMYJYBISLNDGR-UHFFFAOYSA-N
Compound name
5-(4-aminophenoxy)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

209.1052 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 146.3
[M+Na]+ 232.09442 152.3
[M-H]- 208.09792 147.9
[M+NH4]+ 227.13902 163.8
[M+K]+ 248.06836 150.1
[M+H-H2O]+ 192.10246 139.9
[M+HCOO]- 254.10340 169.0
[M+CH3COO]- 268.11905 186.3
[M+Na-2H]- 230.07987 150.2
[M]+ 209.10465 146.6
[M]- 209.10575 146.6
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