CID 203371

Pyrrolidine, 1-(1-vinylcyclohexyl)-

Structural Information

Molecular Formula
C12H21N
SMILES
C=CC1(CCCCC1)N2CCCC2
InChI
InChI=1S/C12H21N/c1-2-12(8-4-3-5-9-12)13-10-6-7-11-13/h2H,1,3-11H2
InChIKey
GLVGYRIGWJLLMH-UHFFFAOYSA-N
Compound name
1-(1-ethenylcyclohexyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.1674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.17468 145.0
[M+Na]+ 202.15662 148.5
[M-H]- 178.16012 148.7
[M+NH4]+ 197.20122 166.7
[M+K]+ 218.13056 145.9
[M+H-H2O]+ 162.16466 137.9
[M+HCOO]- 224.16560 162.5
[M+CH3COO]- 238.18125 179.2
[M+Na-2H]- 200.14207 147.3
[M]+ 179.16685 136.9
[M]- 179.16795 136.9
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

No patent data available for this compound.