CID 40823

Plegatil

Structural Information

Molecular Formula
C13H32N2O
SMILES
CC[N+](C)(CC)CC(C)OCC[N+](C)(C)C
InChI
InChI=1S/C13H32N2O/c1-8-15(7,9-2)12-13(3)16-11-10-14(4,5)6/h13H,8-12H2,1-7H3/q+2
InChIKey
TUWGMUXDPVLMGY-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-[2-(trimethylazaniumyl)ethoxy]propyl]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 153.3
[M+Na]+ 255.24068 157.5
[M-H]- 231.24418 156.3
[M+NH4]+ 250.28528 172.3
[M+K]+ 271.21462 147.8
[M+H-H2O]+ 215.24872 153.7
[M+HCOO]- 277.24966 175.0
[M+CH3COO]- 291.26531 194.6
[M+Na-2H]- 253.22613 163.7
[M]+ 232.25091 155.7
[M]- 232.25201 155.7
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.