CID 89171

22041-29-8

Structural Information

Molecular Formula
C9H18NO2
SMILES
CCOC(=O)C[N+]1(CCCC1)C
InChI
InChI=1S/C9H18NO2/c1-3-12-9(11)8-10(2)6-4-5-7-10/h3-8H2,1-2H3/q+1
InChIKey
NYLJULWKRBSVLY-UHFFFAOYSA-N
Compound name
ethyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

172.13376 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.14104 138.1
[M+Na]+ 195.12298 144.3
[M-H]- 171.12648 140.1
[M+NH4]+ 190.16758 160.7
[M+K]+ 211.09692 138.5
[M+H-H2O]+ 155.13102 135.6
[M+HCOO]- 217.13196 158.5
[M+CH3COO]- 231.14761 170.9
[M+Na-2H]- 193.10843 144.4
[M]+ 172.13321 136.3
[M]- 172.13431 136.3
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

patents stripe