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]+ 257.22238 158.0
[M+Na]+ 279.20432 160.3
[M-H]- 255.20782 154.5
[M+NH4]+ 274.24892 179.9
[M+K]+ 295.17826 148.8
[M+H-H2O]+ 239.21236 158.1
[M+HCOO]- 301.21330 166.6
[M+CH3COO]- 315.22895 193.0
[M+Na-2H]- 277.18977 173.0
[M]+ 256.21455 158.3
[M]- 256.21565 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.