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

201
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 168.7
[M+Na]+ 277.26142 168.2
[M-H]- 253.26492 170.0
[M+NH4]+ 272.30602 184.8
[M+K]+ 293.23536 166.7
[M+H-H2O]+ 237.26946 161.9
[M+HCOO]- 299.27040 185.0
[M+CH3COO]- 313.28605 205.5
[M+Na-2H]- 275.24687 168.9
[M]+ 254.27165 163.5
[M]- 254.27275 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