CID 25995

13440-16-9

Structural Information

Molecular Formula
C12H30N2
SMILES
CC[N+](C)(C)CCCC[N+](C)(C)CC
InChI
InChI=1S/C12H30N2/c1-7-13(3,4)11-9-10-12-14(5,6)8-2/h7-12H2,1-6H3/q+2
InChIKey
GOLSZLAZHOHMHH-UHFFFAOYSA-N
Compound name
ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

202.2409 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.24818 145.4
[M+Na]+ 225.23012 150.3
[M-H]- 201.23362 148.6
[M+NH4]+ 220.27472 165.7
[M+K]+ 241.20406 140.1
[M+H-H2O]+ 185.23816 146.2
[M+HCOO]- 247.23910 168.2
[M+CH3COO]- 261.25475 189.4
[M+Na-2H]- 223.21557 157.4
[M]+ 202.24035 146.8
[M]- 202.24145 146.8
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