CID 216719

37637-79-9

Structural Information

Molecular Formula
C14H30N2O2
SMILES
C[N+]1(CCCCC1)CCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C14H30N2O2/c1-15(2,3)12-13-18-14(17)8-11-16(4)9-6-5-7-10-16/h5-13H2,1-4H3/q+2
InChIKey
WIEVYOCASLLIFR-UHFFFAOYSA-N
Compound name
trimethyl-[2-[3-(1-methylpiperidin-1-ium-1-yl)propanoyloxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.23074 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.23802 160.0
[M+Na]+ 281.21996 162.9
[M-H]- 257.22346 162.6
[M+NH4]+ 276.26456 177.4
[M+K]+ 297.19390 151.7
[M+H-H2O]+ 241.22800 159.3
[M+HCOO]- 303.22894 176.9
[M+CH3COO]- 317.24459 188.0
[M+Na-2H]- 279.20541 169.2
[M]+ 258.23019 156.9
[M]- 258.23129 156.9
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.