CID 60270

500 hc

Structural Information

Molecular Formula
C12H30N2O2
SMILES
C[N+](C)(C)CCOCCOCC[N+](C)(C)C
InChI
InChI=1S/C12H30N2O2/c1-13(2,3)7-9-15-11-12-16-10-8-14(4,5)6/h7-12H2,1-6H3/q+2
InChIKey
BFJORURXTHFTPC-UHFFFAOYSA-N
Compound name
trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

234.23073 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.23801 152.9
[M+Na]+ 257.21995 157.7
[M-H]- 233.22345 155.9
[M+NH4]+ 252.26455 171.8
[M+K]+ 273.19389 148.2
[M+H-H2O]+ 217.22799 153.2
[M+HCOO]- 279.22893 176.1
[M+CH3COO]- 293.24458 192.9
[M+Na-2H]- 255.20540 165.1
[M]+ 234.23018 156.9
[M]- 234.23128 156.9
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