CID 113788

Of-1626

Structural Information

Molecular Formula
C14H28N2O2
SMILES
C[N+]12CCC(CC1)C(C2)C(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C14H28N2O2/c1-15(2,3)9-10-18-14(17)13-11-16(4)7-5-12(13)6-8-16/h12-13H,5-11H2,1-4H3/q+2
InChIKey
ZWQMVTPYOXFOLM-UHFFFAOYSA-N
Compound name
trimethyl-[2-(1-methyl-1-azoniabicyclo[2.2.2]octane-3-carbonyl)oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.2151 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.222376 158.0
[M+Na]+ 279.204318 160.3
[M-H]- 255.207824 154.5
[M+NH4]+ 274.248923 179.9
[M+K]+ 295.178258 148.8
[M+H-H2O]+ 239.212360 158.1
[M+HCOO]- 301.213301 166.6
[M+CH3COO]- 315.228951 193.0
[M+Na-2H]- 277.189766 173.0
[M]+ 256.21455142 158.3
[M]- 256.21564858 158.3
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.