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
2
Annotation Hits

0
References

205
Patents

254.2722 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.279476 168.7
[M+Na]+ 277.261418 168.2
[M-H]- 253.264924 170.0
[M+NH4]+ 272.306023 184.8
[M+K]+ 293.235358 166.7
[M+H-H2O]+ 237.269460 161.9
[M+HCOO]- 299.270401 185.0
[M+CH3COO]- 313.286051 205.5
[M+Na-2H]- 275.246866 168.9
[M]+ 254.27165142 163.5
[M]- 254.27274858 163.5
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