CID 4173113

N-(2-furylmethyl)hexanamide

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCCCCC(=O)NCC1=CC=CO1
InChI
InChI=1S/C11H17NO2/c1-2-3-4-7-11(13)12-9-10-6-5-8-14-10/h5-6,8H,2-4,7,9H2,1H3,(H,12,13)
InChIKey
VUUQSNGVSRGQSZ-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

195.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 146.4
[M+Na]+ 218.11515 152.0
[M-H]- 194.11865 150.1
[M+NH4]+ 213.15975 165.8
[M+K]+ 234.08909 151.4
[M+H-H2O]+ 178.12319 140.1
[M+HCOO]- 240.12413 170.7
[M+CH3COO]- 254.13978 185.5
[M+Na-2H]- 216.10060 151.1
[M]+ 195.12538 148.9
[M]- 195.12648 148.9
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