CID 6455289

Einecs 266-267-2

Structural Information

Molecular Formula
C22H42N2
SMILES
CC(C)CC(=NCC1(CC(CC(C1)(C)C)N=C(C)CC(C)C)C)C
InChI
InChI=1S/C22H42N2/c1-16(2)10-18(5)23-15-22(9)13-20(12-21(7,8)14-22)24-19(6)11-17(3)4/h16-17,20H,10-15H2,1-9H3
InChIKey
OWNXVBPEGAEACG-UHFFFAOYSA-N
Compound name
4-methyl-N-[[1,3,3-trimethyl-5-(4-methylpentan-2-ylideneamino)cyclohexyl]methyl]pentan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

334.3348 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.34208 186.2
[M+Na]+ 357.32402 187.8
[M-H]- 333.32752 190.6
[M+NH4]+ 352.36862 205.0
[M+K]+ 373.29796 186.8
[M+H-H2O]+ 317.33206 180.8
[M+HCOO]- 379.33300 203.5
[M+CH3COO]- 393.34865 228.4
[M+Na-2H]- 355.30947 182.8
[M]+ 334.33425 186.2
[M]- 334.33535 186.2
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