CID 479965

Chembl1177966

Structural Information

Molecular Formula
C12H26NO3
SMILES
C[N+]1(CCCC1COCCOCCOC)C
InChI
InChI=1S/C12H26NO3/c1-13(2)6-4-5-12(13)11-16-10-9-15-8-7-14-3/h12H,4-11H2,1-3H3/q+1
InChIKey
LYEMJXXVZNOFIF-UHFFFAOYSA-N
Compound name
2-[2-(2-methoxyethoxy)ethoxymethyl]-1,1-dimethylpyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.19127 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.19855 154.7
[M+Na]+ 255.18049 160.2
[M-H]- 231.18399 156.3
[M+NH4]+ 250.22509 175.1
[M+K]+ 271.15443 154.3
[M+H-H2O]+ 215.18853 151.5
[M+HCOO]- 277.18947 175.0
[M+CH3COO]- 291.20512 184.0
[M+Na-2H]- 253.16594 160.2
[M]+ 232.19072 157.2
[M]- 232.19182 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.