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]+ 201.172326 147.5
[M+Na]+ 223.154268 152.8
[M-H]- 199.157774 149.1
[M+NH4]+ 218.198873 168.9
[M+K]+ 239.128208 146.4
[M+H-H2O]+ 183.162310 144.5
[M+HCOO]- 245.163251 167.1
[M+CH3COO]- 259.178901 177.0
[M+Na-2H]- 221.139716 152.7
[M]+ 200.16450142 146.4
[M]- 200.16559858 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.