CID 120176

Plegarol

Structural Information

Molecular Formula
C14H32N2O
SMILES
CC[N+](C)(CC)CCOCC[N+]1(CCCC1)C
InChI
InChI=1S/C14H32N2O/c1-5-15(3,6-2)11-13-17-14-12-16(4)9-7-8-10-16/h5-14H2,1-4H3/q+2
InChIKey
RTACEFRMCNAQAA-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

244.25146 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.25874 158.7
[M+Na]+ 267.24068 162.5
[M-H]- 243.24418 161.4
[M+NH4]+ 262.28528 178.6
[M+K]+ 283.21462 150.9
[M+H-H2O]+ 227.24872 158.1
[M+HCOO]- 289.24966 178.2
[M+CH3COO]- 303.26531 187.4
[M+Na-2H]- 265.22613 167.9
[M]+ 244.25091 157.6
[M]- 244.25201 157.6
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

No patent data available for this compound.