CID 98883

4-(cyclohexylmethyl)piperidine

Structural Information

Molecular Formula
C12H23N
SMILES
C1CCC(CC1)CC2CCNCC2
InChI
InChI=1S/C12H23N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h11-13H,1-10H2
InChIKey
ZDYLEXHUSVXJPP-UHFFFAOYSA-N
Compound name
4-(cyclohexylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

119
Patents

181.18304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.190316 146.1
[M+Na]+ 204.172258 146.8
[M-H]- 180.175764 147.6
[M+NH4]+ 199.216863 163.0
[M+K]+ 220.146198 143.7
[M+H-H2O]+ 164.180300 138.3
[M+HCOO]- 226.181241 159.6
[M+CH3COO]- 240.196891 178.3
[M+Na-2H]- 202.157706 148.5
[M]+ 181.18249142 134.4
[M]- 181.18358858 134.4
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

patents stripe