CID 89173

22041-31-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

172.13376 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.141036 138.1
[M+Na]+ 195.122978 144.3
[M-H]- 171.126484 140.1
[M+NH4]+ 190.167583 160.7
[M+K]+ 211.096918 138.5
[M+H-H2O]+ 155.131020 135.6
[M+HCOO]- 217.131961 158.5
[M+CH3COO]- 231.147611 170.9
[M+Na-2H]- 193.108426 144.4
[M]+ 172.13321142 136.3
[M]- 172.13430858 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