CID 199798

1-(cyclohexylmethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H21N
SMILES
C1CCC(CC1)CN2CCCC2
InChI
InChI=1S/C11H21N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h11H,1-10H2
InChIKey
ADGIWWYGVBZYMC-UHFFFAOYSA-N
Compound name
1-(cyclohexylmethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

61
Patents

167.1674 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.174676 141.7
[M+Na]+ 190.156618 144.3
[M-H]- 166.160124 145.1
[M+NH4]+ 185.201223 161.9
[M+K]+ 206.130558 142.4
[M+H-H2O]+ 150.164660 134.1
[M+HCOO]- 212.165601 159.2
[M+CH3COO]- 226.181251 177.5
[M+Na-2H]- 188.142066 143.5
[M]+ 167.16685142 133.7
[M]- 167.16794858 133.7
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

patents stripe