CID 89169

22041-28-7

Structural Information

Molecular Formula
C8H16NO2
SMILES
C[N+]1(CCCC1)CC(=O)OC
InChI
InChI=1S/C8H16NO2/c1-9(5-3-4-6-9)7-8(10)11-2/h3-7H2,1-2H3/q+1
InChIKey
APHKHECNJPCVCR-UHFFFAOYSA-N
Compound name
methyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

158.1181 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.125376 133.4
[M+Na]+ 181.107318 140.0
[M-H]- 157.110824 135.6
[M+NH4]+ 176.151923 156.5
[M+K]+ 197.081258 134.5
[M+H-H2O]+ 141.115360 131.1
[M+HCOO]- 203.116301 154.1
[M+CH3COO]- 217.131951 167.9
[M+Na-2H]- 179.092766 140.2
[M]+ 158.11755142 131.2
[M]- 158.11864858 131.2
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