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]+ 233.258736 154.1
[M+Na]+ 255.240678 158.5
[M-H]- 231.244184 157.0
[M+NH4]+ 250.285283 173.1
[M+K]+ 271.214618 148.4
[M+H-H2O]+ 215.248720 154.4
[M+HCOO]- 277.249661 176.7
[M+CH3COO]- 291.265311 194.1
[M+Na-2H]- 253.226126 165.6
[M]+ 232.25091142 157.2
[M]- 232.25200858 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.