CID 109461

2,4-pentanediamine, n2-cyclohexyl-4-methyl-

Structural Information

Molecular Formula
C12H26N2
SMILES
CC(CC(C)(C)N)NC1CCCCC1
InChI
InChI=1S/C12H26N2/c1-10(9-12(2,3)13)14-11-7-5-4-6-8-11/h10-11,14H,4-9,13H2,1-3H3
InChIKey
KEAACUDKIOGUED-UHFFFAOYSA-N
Compound name
4-N-cyclohexyl-2-methylpentane-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

198.2096 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.21688 150.9
[M+Na]+ 221.19882 152.4
[M-H]- 197.20232 152.4
[M+NH4]+ 216.24342 169.0
[M+K]+ 237.17276 150.9
[M+H-H2O]+ 181.20686 144.8
[M+HCOO]- 243.20780 168.9
[M+CH3COO]- 257.22345 191.9
[M+Na-2H]- 219.18427 153.4
[M]+ 198.20905 143.9
[M]- 198.21015 143.9
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