CID 107030

67990-16-3

Structural Information

Molecular Formula
C16H34N2
SMILES
CC(C)CNC(C)(C)CC(C)NC1CCCCC1
InChI
InChI=1S/C16H34N2/c1-13(2)12-17-16(4,5)11-14(3)18-15-9-7-6-8-10-15/h13-15,17-18H,6-12H2,1-5H3
InChIKey
ZYRAUVPYOBILQC-UHFFFAOYSA-N
Compound name
4-N-cyclohexyl-2-methyl-2-N-(2-methylpropyl)pentane-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

254.2722 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.27948 168.4
[M+Na]+ 277.26142 174.6
[M+NH4]+ 272.30602 175.8
[M+K]+ 293.23536 169.1
[M-H]- 253.26492 170.4
[M+Na-2H]- 275.24687 171.2
[M]+ 254.27165 169.6
[M]- 254.27275 169.6
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