CID 26237

5-amino-2-butoxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

No literature data available for this compound.

Patent stripe

patents stripe