CID 17401

2576-43-4

Structural Information

Molecular Formula
C10H26N2O
SMILES
C[N+](C)(C)CCOCC[N+](C)(C)C
InChI
InChI=1S/C10H26N2O/c1-11(2,3)7-9-13-10-8-12(4,5)6/h7-10H2,1-6H3/q+2
InChIKey
KPHDYWYZFFBBNH-UHFFFAOYSA-N
Compound name
trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
Patents

190.20451 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.21179 139.6
[M+Na]+ 213.19373 145.3
[M-H]- 189.19723 143.1
[M+NH4]+ 208.23833 160.4
[M+K]+ 229.16767 136.0
[M+H-H2O]+ 173.20177 140.6
[M+HCOO]- 235.20271 163.3
[M+CH3COO]- 249.21836 185.1
[M+Na-2H]- 211.17918 152.8
[M]+ 190.20396 141.6
[M]- 190.20506 141.6
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