CID 20454197

3-methyl-n-(3-methylcyclohexyl)cyclohexan-1-amine

Structural Information

Molecular Formula
C14H27N
SMILES
CC1CCCC(C1)NC2CCCC(C2)C
InChI
InChI=1S/C14H27N/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h11-15H,3-10H2,1-2H3
InChIKey
FBBSSGDEXCODGU-UHFFFAOYSA-N
Compound name
3-methyl-N-(3-methylcyclohexyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

209.21436 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.221636 153.0
[M+Na]+ 232.203578 154.4
[M-H]- 208.207084 157.8
[M+NH4]+ 227.248183 171.2
[M+K]+ 248.177518 151.8
[M+H-H2O]+ 192.211620 145.9
[M+HCOO]- 254.212561 169.7
[M+CH3COO]- 268.228211 191.3
[M+Na-2H]- 230.189026 153.9
[M]+ 209.21381142 143.5
[M]- 209.21490858 143.5
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