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]+ 238.143766 155.2
[M+Na]+ 260.125708 161.3
[M-H]- 236.129214 156.8
[M+NH4]+ 255.170313 171.9
[M+K]+ 276.099648 158.7
[M+H-H2O]+ 220.133750 148.7
[M+HCOO]- 282.134691 177.2
[M+CH3COO]- 296.150341 193.5
[M+Na-2H]- 258.111156 157.3
[M]+ 237.13594142 156.7
[M]- 237.13703858 156.7
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

No patent data available for this compound.