CID 3021717

Einecs 292-671-3

Structural Information

Molecular Formula
C14H28N2
SMILES
CC1CCC(CC1CC2CCCCC2N)N
InChI
InChI=1S/C14H28N2/c1-10-6-7-13(15)9-12(10)8-11-4-2-3-5-14(11)16/h10-14H,2-9,15-16H2,1H3
InChIKey
KYOKINKVOPDHLX-UHFFFAOYSA-N
Compound name
3-[(2-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

224.22525 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.232526 157.5
[M+Na]+ 247.214468 159.1
[M-H]- 223.217974 161.4
[M+NH4]+ 242.259073 174.5
[M+K]+ 263.188408 155.7
[M+H-H2O]+ 207.222510 150.3
[M+HCOO]- 269.223451 173.8
[M+CH3COO]- 283.239101 196.3
[M+Na-2H]- 245.199916 155.9
[M]+ 224.22470142 145.7
[M]- 224.22579858 145.7
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