CID 23428

N-phenyloctanamide

Structural Information

Molecular Formula
C14H21NO
SMILES
CCCCCCCC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C14H21NO/c1-2-3-4-5-9-12-14(16)15-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,15,16)
InChIKey
UQLCRQPLVWWHDC-UHFFFAOYSA-N
Compound name
N-phenyloctanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

311
Patents

219.16231 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 153.9
[M+Na]+ 242.15153 158.3
[M-H]- 218.15503 156.5
[M+NH4]+ 237.19613 171.9
[M+K]+ 258.12547 155.5
[M+H-H2O]+ 202.15957 146.9
[M+HCOO]- 264.16051 177.2
[M+CH3COO]- 278.17616 192.6
[M+Na-2H]- 240.13698 158.4
[M]+ 219.16176 154.8
[M]- 219.16286 154.8
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.