CID 26307

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

Structural Information

Molecular Formula
C13H19NO3
SMILES
CCCCCCOC1=C(C=C(C=C1)N)C(=O)O
InChI
InChI=1S/C13H19NO3/c1-2-3-4-5-8-17-12-7-6-10(14)9-11(12)13(15)16/h6-7,9H,2-5,8,14H2,1H3,(H,15,16)
InChIKey
RFHZAIXQQHTLLF-UHFFFAOYSA-N
Compound name
5-amino-2-hexoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 155.3
[M+Na]+ 260.12571 165.3
[M+NH4]+ 255.17031 161.6
[M+K]+ 276.09965 159.9
[M-H]- 236.12921 156.1
[M+Na-2H]- 258.11116 159.2
[M]+ 237.13594 156.6
[M]- 237.13704 156.6
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

No patent data available for this compound.