CID 211001

22041-37-8

Structural Information

Molecular Formula
C11H22NO2
SMILES
CCOC(=O)CCC[N+]1(CCCC1)C
InChI
InChI=1S/C11H22NO2/c1-3-14-11(13)7-6-10-12(2)8-4-5-9-12/h3-10H2,1-2H3/q+1
InChIKey
YQYHUGAZKOBAEU-UHFFFAOYSA-N
Compound name
ethyl 4-(1-methylpyrrolidin-1-ium-1-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.16505 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.17233 147.5
[M+Na]+ 223.15427 152.7
[M-H]- 199.15777 149.1
[M+NH4]+ 218.19887 168.9
[M+K]+ 239.12821 146.4
[M+H-H2O]+ 183.16231 144.5
[M+HCOO]- 245.16325 167.1
[M+CH3COO]- 259.17890 177.0
[M+Na-2H]- 221.13972 152.7
[M]+ 200.16450 146.4
[M]- 200.16560 146.4
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.