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

97
Patents

181.18304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.19032 146.1
[M+Na]+ 204.17226 146.8
[M-H]- 180.17576 147.6
[M+NH4]+ 199.21686 163.0
[M+K]+ 220.14620 143.7
[M+H-H2O]+ 164.18030 138.3
[M+HCOO]- 226.18124 159.6
[M+CH3COO]- 240.19689 178.3
[M+Na-2H]- 202.15771 148.5
[M]+ 181.18249 134.4
[M]- 181.18359 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