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

271
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

literature stripe

Patent stripe

patents stripe