CID 132472057

1,3-cyclohexanedimethanamine, n1,n3-bis(2-methylpropylidene)-

Structural Information

Molecular Formula
C16H30N2
SMILES
CC(C)C=NCC1CCCC(C1)CN=CC(C)C
InChI
InChI=1S/C16H30N2/c1-13(2)9-17-11-15-6-5-7-16(8-15)12-18-10-14(3)4/h9-10,13-16H,5-8,11-12H2,1-4H3
InChIKey
JUBKHAAUFRURMO-UHFFFAOYSA-N
Compound name
2-methyl-N-[[3-[(2-methylpropylideneamino)methyl]cyclohexyl]methyl]propan-1-imine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

250.2409 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.248176 166.7
[M+Na]+ 273.230118 168.2
[M-H]- 249.233624 171.1
[M+NH4]+ 268.274723 184.5
[M+K]+ 289.204058 166.8
[M+H-H2O]+ 233.238160 159.0
[M+HCOO]- 295.239101 187.9
[M+CH3COO]- 309.254751 208.4
[M+Na-2H]- 271.215566 166.4
[M]+ 250.24035142 164.6
[M]- 250.24144858 164.6
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

No patent data available for this compound.