CID 30485

21093-49-2

Structural Information

Molecular Formula
C16H34N2
SMILES
C[N+](C)(CCCCCC[N+](C)(C)CC=C)CC=C
InChI
InChI=1S/C16H34N2/c1-7-13-17(3,4)15-11-9-10-12-16-18(5,6)14-8-2/h7-8H,1-2,9-16H2,3-6H3/q+2
InChIKey
UUDDDBWVHHOWCV-UHFFFAOYSA-N
Compound name
6-[dimethyl(prop-2-enyl)azaniumyl]hexyl-dimethyl-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.2722 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.279476 161.4
[M+Na]+ 277.261418 165.3
[M-H]- 253.264924 163.8
[M+NH4]+ 272.306023 179.5
[M+K]+ 293.235358 152.8
[M+H-H2O]+ 237.269460 161.5
[M+HCOO]- 299.270401 183.2
[M+CH3COO]- 313.286051 198.8
[M+Na-2H]- 275.246866 171.3
[M]+ 254.27165142 162.9
[M]- 254.27274858 162.9
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.