CID 202079

1-(1-allylcyclohexyl)pyrrolidine

Structural Information

Molecular Formula
C13H23N
SMILES
C=CCC1(CCCCC1)N2CCCC2
InChI
InChI=1S/C13H23N/c1-2-8-13(9-4-3-5-10-13)14-11-6-7-12-14/h2H,1,3-12H2
InChIKey
LYJRVYUVVDMOSM-UHFFFAOYSA-N
Compound name
1-(1-prop-2-enylcyclohexyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.18304 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.190316 149.5
[M+Na]+ 216.172258 152.5
[M-H]- 192.175764 152.9
[M+NH4]+ 211.216863 170.6
[M+K]+ 232.146198 149.7
[M+H-H2O]+ 176.180300 142.1
[M+HCOO]- 238.181241 166.6
[M+CH3COO]- 252.196891 182.2
[M+Na-2H]- 214.157706 151.2
[M]+ 193.18249142 141.7
[M]- 193.18358858 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.