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]+ 245.22235 156.3
[M+Na]+ 267.20429 160.5
[M-H]- 243.20779 159.3
[M+NH4]+ 262.24889 176.1
[M+K]+ 283.17823 149.4
[M+H-H2O]+ 227.21233 156.0
[M+HCOO]- 289.21327 175.5
[M+CH3COO]- 303.22892 184.8
[M+Na-2H]- 265.18974 165.1
[M]+ 244.21452 154.7
[M]- 244.21562 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.