CID 222004

N-benzylhexanamide

Structural Information

Molecular Formula
C13H19NO
SMILES
CCCCCC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C13H19NO/c1-2-3-5-10-13(15)14-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3,(H,14,15)
InChIKey
ODWJLEVLUVELOR-UHFFFAOYSA-N
Compound name
N-benzylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

205.14667 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 149.2
[M+Na]+ 228.13589 154.1
[M-H]- 204.13939 152.1
[M+NH4]+ 223.18049 167.8
[M+K]+ 244.10983 151.6
[M+H-H2O]+ 188.14393 142.5
[M+HCOO]- 250.14487 172.9
[M+CH3COO]- 264.16052 189.6
[M+Na-2H]- 226.12134 154.3
[M]+ 205.14612 149.8
[M]- 205.14722 149.8
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