CID 216717

37637-75-5

Structural Information

Molecular Formula
C13H28N2O2
SMILES
C[N+]1(CCCC1)CCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C13H28N2O2/c1-14(2,3)11-12-17-13(16)7-10-15(4)8-5-6-9-15/h5-12H2,1-4H3/q+2
InChIKey
OYMSOZFLSKHTTP-UHFFFAOYSA-N
Compound name
trimethyl-[2-[3-(1-methylpyrrolidin-1-ium-1-yl)propanoyloxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.21507 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.222346 156.3
[M+Na]+ 267.204288 160.5
[M-H]- 243.207794 159.3
[M+NH4]+ 262.248893 176.1
[M+K]+ 283.178228 149.4
[M+H-H2O]+ 227.212330 156.0
[M+HCOO]- 289.213271 175.5
[M+CH3COO]- 303.228921 184.8
[M+Na-2H]- 265.189736 165.1
[M]+ 244.21452142 154.7
[M]- 244.21561858 154.7
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.