CID 221997

2-cyclohexylcyclohexan-1-amine

Structural Information

Molecular Formula
C12H23N
SMILES
C1CCC(CC1)C2CCCCC2N
InChI
InChI=1S/C12H23N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-12H,1-9,13H2
InChIKey
KEHCTKVZDAEDPP-UHFFFAOYSA-N
Compound name
2-cyclohexylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

181.18304 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.190316 144.7
[M+Na]+ 204.172258 146.0
[M-H]- 180.175764 148.9
[M+NH4]+ 199.216863 163.5
[M+K]+ 220.146198 143.5
[M+H-H2O]+ 164.180300 137.8
[M+HCOO]- 226.181241 161.4
[M+CH3COO]- 240.196891 183.5
[M+Na-2H]- 202.157706 146.3
[M]+ 181.18249142 133.1
[M]- 181.18358858 133.1
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