CID 12541316

N-(4-hydroxyphenyl)hexanamide

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCCCCC(=O)NC1=CC=C(C=C1)O
InChI
InChI=1S/C12H17NO2/c1-2-3-4-5-12(15)13-10-6-8-11(14)9-7-10/h6-9,14H,2-5H2,1H3,(H,13,15)
InChIKey
XRBOURKECNOTLX-UHFFFAOYSA-N
Compound name
N-(4-hydroxyphenyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

207.12593 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.8
[M+Na]+ 230.11515 153.6
[M-H]- 206.11865 149.8
[M+NH4]+ 225.15975 165.9
[M+K]+ 246.08909 150.9
[M+H-H2O]+ 190.12319 141.5
[M+HCOO]- 252.12413 170.5
[M+CH3COO]- 266.13978 187.1
[M+Na-2H]- 228.10060 152.2
[M]+ 207.12538 148.0
[M]- 207.12648 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe