CID 85885

Of-1704

Structural Information

Molecular Formula
C14H28N2O2
SMILES
C[N+]12CCC(CC1)CC2C(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C14H28N2O2/c1-15(2,3)9-10-18-14(17)13-11-12-5-7-16(13,4)8-6-12/h12-13H,5-11H2,1-4H3/q+2
InChIKey
HUHPZQWPESBHSI-UHFFFAOYSA-N
Compound name
trimethyl-[2-(1-methyl-1-azoniabicyclo[2.2.2]octane-2-carbonyl)oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.2151 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.22238 152.8
[M+Na]+ 279.20432 164.6
[M+NH4]+ 274.24892 165.8
[M+K]+ 295.17826 157.9
[M-H]- 255.20782 153.8
[M+Na-2H]- 277.18977 153.9
[M]+ 256.21455 155.5
[M]- 256.21565 155.5
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.