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]+ 187.156676 142.8
[M+Na]+ 209.138618 148.5
[M-H]- 185.142124 144.6
[M+NH4]+ 204.183223 164.8
[M+K]+ 225.112558 142.5
[M+H-H2O]+ 169.146660 140.1
[M+HCOO]- 231.147601 162.8
[M+CH3COO]- 245.163251 174.0
[M+Na-2H]- 207.124066 148.5
[M]+ 186.14885142 141.3
[M]- 186.14994858 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.