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

23
Patents

158.1181 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.12538 133.4
[M+Na]+ 181.10732 140.0
[M-H]- 157.11082 135.6
[M+NH4]+ 176.15192 156.5
[M+K]+ 197.08126 134.5
[M+H-H2O]+ 141.11536 131.1
[M+HCOO]- 203.11630 154.1
[M+CH3COO]- 217.13195 167.9
[M+Na-2H]- 179.09277 140.2
[M]+ 158.11755 131.2
[M]- 158.11865 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