CID 9964429

4-amino-3-butoxybenzoic acid

Structural Information

Molecular Formula
C11H15NO3
SMILES
CCCCOC1=C(C=CC(=C1)C(=O)O)N
InChI
InChI=1S/C11H15NO3/c1-2-3-6-15-10-7-8(11(13)14)4-5-9(10)12/h4-5,7H,2-3,6,12H2,1H3,(H,13,14)
InChIKey
HXPQKILUHVHNEE-UHFFFAOYSA-N
Compound name
4-amino-3-butoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

209.1052 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 146.3
[M+Na]+ 232.09442 156.8
[M+NH4]+ 227.13902 153.0
[M+K]+ 248.06836 151.8
[M-H]- 208.09792 147.3
[M+Na-2H]- 230.07987 150.8
[M]+ 209.10465 147.7
[M]- 209.10575 147.7
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

patents stripe