CID 46053

63982-05-8

Structural Information

Molecular Formula
C15H36N2
SMILES
CC[N+](C)(C)CCCCCCC[N+](C)(C)CC
InChI
InChI=1S/C15H36N2/c1-7-16(3,4)14-12-10-9-11-13-15-17(5,6)8-2/h7-15H2,1-6H3/q+2
InChIKey
RLVHUHZONHQRPX-UHFFFAOYSA-N
Compound name
ethyl-[7-[ethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.28784 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.29512 159.7
[M+Na]+ 267.27706 163.4
[M-H]- 243.28056 162.3
[M+NH4]+ 262.32166 178.4
[M+K]+ 283.25100 152.4
[M+H-H2O]+ 227.28510 159.9
[M+HCOO]- 289.28604 181.5
[M+CH3COO]- 303.30169 198.4
[M+Na-2H]- 265.26251 170.1
[M]+ 244.28729 162.3
[M]- 244.28839 162.3
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