CID 240161

N-furfuryl-1-cyclohexanecarboxamide

Structural Information

Molecular Formula
C12H17NO2
SMILES
C1CCC(CC1)C(=O)NCC2=CC=CO2
InChI
InChI=1S/C12H17NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h4,7-8,10H,1-3,5-6,9H2,(H,13,14)
InChIKey
INLHVHCDKOBBFM-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

207.12593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.5
[M+Na]+ 230.11515 150.9
[M-H]- 206.11865 153.7
[M+NH4]+ 225.15975 165.8
[M+K]+ 246.08909 150.1
[M+H-H2O]+ 190.12319 140.6
[M+HCOO]- 252.12413 168.7
[M+CH3COO]- 266.13978 185.2
[M+Na-2H]- 228.10060 151.1
[M]+ 207.12538 143.6
[M]- 207.12648 143.6
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