CID 44145153

127667-47-4

Structural Information

Molecular Formula
C10H19N2O3
SMILES
CC(C[N+]12CCN(CC1)CC2)OC(=O)O
InChI
InChI=1S/C10H18N2O3/c1-9(15-10(13)14)8-12-5-2-11(3-6-12)4-7-12/h9H,2-8H2,1H3/p+1
InChIKey
KSECOPCSNTUUJI-UHFFFAOYSA-O
Compound name
1-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)propan-2-yl hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.13957 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14685 144.0
[M+Na]+ 238.12879 153.6
[M+NH4]+ 233.17339 154.9
[M+K]+ 254.10273 147.6
[M-H]- 214.13229 141.0
[M+Na-2H]- 236.11424 142.6
[M]+ 215.13902 144.6
[M]- 215.14012 144.6
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.