CID 91555

Bis(4-amino-3-methylcyclohexyl)methane

Structural Information

Molecular Formula
C15H30N2
SMILES
CC1CC(CCC1N)CC2CCC(C(C2)C)N
InChI
InChI=1S/C15H30N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h10-15H,3-9,16-17H2,1-2H3
InChIKey
IGSBHTZEJMPDSZ-UHFFFAOYSA-N
Compound name
4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

31614
Patents

238.2409 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.24818 162.2
[M+Na]+ 261.23012 164.4
[M-H]- 237.23362 166.4
[M+NH4]+ 256.27472 179.0
[M+K]+ 277.20406 160.8
[M+H-H2O]+ 221.23816 155.1
[M+HCOO]- 283.23910 178.2
[M+CH3COO]- 297.25475 200.6
[M+Na-2H]- 259.21557 159.4
[M]+ 238.24035 151.2
[M]- 238.24145 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe