CID 4442674

2-(cyclohexylmethyl)pyrrolidine

Structural Information

Molecular Formula
C11H21N
SMILES
C1CCC(CC1)CC2CCCN2
InChI
InChI=1S/C11H21N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h10-12H,1-9H2
InChIKey
HTQOKLUJNQCMHG-UHFFFAOYSA-N
Compound name
2-(cyclohexylmethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

167.1674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.17468 142.2
[M+Na]+ 190.15662 144.4
[M-H]- 166.16012 144.2
[M+NH4]+ 185.20122 161.7
[M+K]+ 206.13056 141.6
[M+H-H2O]+ 150.16466 134.9
[M+HCOO]- 212.16560 158.2
[M+CH3COO]- 226.18125 174.9
[M+Na-2H]- 188.14207 143.6
[M]+ 167.16685 132.3
[M]- 167.16795 132.3
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