CID 46043

As-13,569

Structural Information

Molecular Formula
C13H32N2O
SMILES
CCC[N+](C)(CC)CCOCC[N+](C)(C)C
InChI
InChI=1S/C13H32N2O/c1-7-9-15(6,8-2)11-13-16-12-10-14(3,4)5/h7-13H2,1-6H3/q+2
InChIKey
LJNPWFFSLOHUFY-UHFFFAOYSA-N
Compound name
ethyl-methyl-propyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.25146 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.25874 154.1
[M+Na]+ 255.24068 158.5
[M-H]- 231.24418 157.0
[M+NH4]+ 250.28528 173.1
[M+K]+ 271.21462 148.4
[M+H-H2O]+ 215.24872 154.4
[M+HCOO]- 277.24966 176.7
[M+CH3COO]- 291.26531 194.1
[M+Na-2H]- 253.22613 165.6
[M]+ 232.25091 157.2
[M]- 232.25201 157.2
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.