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

7
Patents

202.2409 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.248176 145.4
[M+Na]+ 225.230118 150.3
[M-H]- 201.233624 148.6
[M+NH4]+ 220.274723 165.7
[M+K]+ 241.204058 140.1
[M+H-H2O]+ 185.238160 146.2
[M+HCOO]- 247.239101 168.2
[M+CH3COO]- 261.254751 189.4
[M+Na-2H]- 223.215566 157.4
[M]+ 202.24035142 146.8
[M]- 202.24144858 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