CID 828980

N-(furan-3-ylmethyl)cyclohexanamine

Structural Information

Molecular Formula
C11H17NO
SMILES
C1CCC(CC1)NCC2=COC=C2
InChI
InChI=1S/C11H17NO/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h6-7,9,11-12H,1-5,8H2
InChIKey
WOKDOHAOOOCYGS-UHFFFAOYSA-N
Compound name
N-(furan-3-ylmethyl)cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

179.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 141.5
[M+Na]+ 202.12023 151.9
[M+NH4]+ 197.16483 151.0
[M+K]+ 218.09417 146.9
[M-H]- 178.12373 147.2
[M+Na-2H]- 200.10568 148.1
[M]+ 179.13046 144.4
[M]- 179.13156 144.4
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