CID 26240

Benzoic acid, 5-amino-2-(octyloxy)-

Structural Information

Molecular Formula
C15H23NO3
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)C(=O)O
InChI
InChI=1S/C15H23NO3/c1-2-3-4-5-6-7-10-19-14-9-8-12(16)11-13(14)15(17)18/h8-9,11H,2-7,10,16H2,1H3,(H,17,18)
InChIKey
HPWUSHVGTQVRIV-UHFFFAOYSA-N
Compound name
5-amino-2-octoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 164.4
[M+Na]+ 288.15702 169.6
[M-H]- 264.16052 165.5
[M+NH4]+ 283.20162 179.9
[M+K]+ 304.13096 166.4
[M+H-H2O]+ 248.16506 157.4
[M+HCOO]- 310.16600 185.6
[M+CH3COO]- 324.18165 199.6
[M+Na-2H]- 286.14247 165.4
[M]+ 265.16725 166.5
[M]- 265.16835 166.5
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

No patent data available for this compound.