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]+ 266.17508 164.4
[M+Na]+ 288.15702 169.3
[M-H]- 264.16052 164.8
[M+NH4]+ 283.20162 179.6
[M+K]+ 304.13096 165.6
[M+H-H2O]+ 248.16506 157.7
[M+HCOO]- 310.16600 184.8
[M+CH3COO]- 324.18165 197.1
[M+Na-2H]- 286.14247 166.0
[M]+ 265.16725 165.6
[M]- 265.16835 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