CID 3019070

N-(4-hydroxyphenyl)heptan-1-amide

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCCCCCC(=O)NC1=CC=C(C=C1)O
InChI
InChI=1S/C13H19NO2/c1-2-3-4-5-6-13(16)14-11-7-9-12(15)10-8-11/h7-10,15H,2-6H2,1H3,(H,14,16)
InChIKey
QJMZEFAKAHFNRX-UHFFFAOYSA-N
Compound name
N-(4-hydroxyphenyl)heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

221.14159 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 152.4
[M+Na]+ 244.130808 157.7
[M-H]- 220.134314 154.2
[M+NH4]+ 239.175413 169.9
[M+K]+ 260.104748 154.8
[M+H-H2O]+ 204.138850 145.9
[M+HCOO]- 266.139791 174.8
[M+CH3COO]- 280.155441 190.2
[M+Na-2H]- 242.116256 156.2
[M]+ 221.14104142 152.9
[M]- 221.14213858 152.9
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