CID 3159681

1-[(pyrrolidin-1-yl)methyl]cyclohexan-1-amine

Structural Information

Molecular Formula
C11H22N2
SMILES
C1CCC(CC1)(CN2CCCC2)N
InChI
InChI=1S/C11H22N2/c12-11(6-2-1-3-7-11)10-13-8-4-5-9-13/h1-10,12H2
InChIKey
FFNSNUBYKYSWNB-UHFFFAOYSA-N
Compound name
1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

182.1783 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.18558 144.8
[M+Na]+ 205.16752 147.5
[M-H]- 181.17102 148.0
[M+NH4]+ 200.21212 165.8
[M+K]+ 221.14146 145.3
[M+H-H2O]+ 165.17556 137.4
[M+HCOO]- 227.17650 162.8
[M+CH3COO]- 241.19215 181.1
[M+Na-2H]- 203.15297 147.2
[M]+ 182.17775 135.4
[M]- 182.17885 135.4
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