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

3
Patents

209.1052 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 146.0
[M+Na]+ 232.094418 153.0
[M-H]- 208.097924 148.0
[M+NH4]+ 227.139023 163.9
[M+K]+ 248.068358 150.8
[M+H-H2O]+ 192.102460 139.9
[M+HCOO]- 254.103401 168.7
[M+CH3COO]- 268.119051 187.5
[M+Na-2H]- 230.079866 149.2
[M]+ 209.10465142 146.8
[M]- 209.10574858 146.8
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