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

20
Patents

209.21436 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.22164 153.0
[M+Na]+ 232.20358 154.4
[M-H]- 208.20708 157.8
[M+NH4]+ 227.24818 171.2
[M+K]+ 248.17752 151.8
[M+H-H2O]+ 192.21162 145.9
[M+HCOO]- 254.21256 169.7
[M+CH3COO]- 268.22821 191.3
[M+Na-2H]- 230.18903 153.9
[M]+ 209.21381 143.5
[M]- 209.21491 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