CID 89175

22041-32-3

Structural Information

Molecular Formula
C10H20NO2
SMILES
CCOC(=O)CC[N+]1(CCCC1)C
InChI
InChI=1S/C10H20NO2/c1-3-13-10(12)6-9-11(2)7-4-5-8-11/h3-9H2,1-2H3/q+1
InChIKey
OYINEROOKXVJII-UHFFFAOYSA-N
Compound name
ethyl 3-(1-methylpyrrolidin-1-ium-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1494 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.15668 142.8
[M+Na]+ 209.13862 148.5
[M-H]- 185.14212 144.6
[M+NH4]+ 204.18322 164.8
[M+K]+ 225.11256 142.5
[M+H-H2O]+ 169.14666 140.1
[M+HCOO]- 231.14760 162.8
[M+CH3COO]- 245.16325 174.0
[M+Na-2H]- 207.12407 148.5
[M]+ 186.14885 141.3
[M]- 186.14995 141.3
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.