CID 3062449

3,4-dihydroxy-n-octylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

265.1678 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.175076 164.4
[M+Na]+ 288.157018 169.3
[M-H]- 264.160524 164.8
[M+NH4]+ 283.201623 179.6
[M+K]+ 304.130958 165.6
[M+H-H2O]+ 248.165060 157.7
[M+HCOO]- 310.166001 184.8
[M+CH3COO]- 324.181651 197.1
[M+Na-2H]- 286.142466 166.0
[M]+ 265.16725142 165.6
[M]- 265.16834858 165.6
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

patents stripe