CID 26241

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

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCCCCCCCCOC1=C(C=C(C=C1)N)C(=O)O
InChI
InChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-11-20-15-10-9-13(17)12-14(15)16(18)19/h9-10,12H,2-8,11,17H2,1H3,(H,18,19)
InChIKey
UXSMCUXWJPWBQD-UHFFFAOYSA-N
Compound name
5-amino-2-nonoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.18344 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.190716 168.9
[M+Na]+ 302.172658 173.7
[M-H]- 278.176164 169.9
[M+NH4]+ 297.217263 183.9
[M+K]+ 318.146598 170.3
[M+H-H2O]+ 262.180700 161.7
[M+HCOO]- 324.181641 189.8
[M+CH3COO]- 338.197291 202.6
[M+Na-2H]- 300.158106 169.4
[M]+ 279.18289142 171.4
[M]- 279.18398858 171.4
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.