CID 46892

64049-59-8

Structural Information

Molecular Formula
C12H30N2O
SMILES
CC(C[N+](C)(C)C)OC(C)C[N+](C)(C)C
InChI
InChI=1S/C12H30N2O/c1-11(9-13(3,4)5)15-12(2)10-14(6,7)8/h11-12H,9-10H2,1-8H3/q+2
InChIKey
SFMONZGRKVMYID-UHFFFAOYSA-N
Compound name
trimethyl-[2-[1-(trimethylazaniumyl)propan-2-yloxy]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

218.23581 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.243086 147.3
[M+Na]+ 241.225028 151.7
[M-H]- 217.228534 150.6
[M+NH4]+ 236.269633 166.8
[M+K]+ 257.198968 142.8
[M+H-H2O]+ 201.233070 148.1
[M+HCOO]- 263.234011 168.4
[M+CH3COO]- 277.249661 192.2
[M+Na-2H]- 239.210476 157.2
[M]+ 218.23526142 148.6
[M]- 218.23635858 148.6
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