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]+ 245.258736 158.7
[M+Na]+ 267.240678 162.5
[M-H]- 243.244184 161.4
[M+NH4]+ 262.285283 178.6
[M+K]+ 283.214618 150.9
[M+H-H2O]+ 227.248720 158.1
[M+HCOO]- 289.249661 178.2
[M+CH3COO]- 303.265311 187.4
[M+Na-2H]- 265.226126 167.9
[M]+ 244.25091142 157.6
[M]- 244.25200858 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.