CID 103551

Methyl 1-methylpyrrolidine-2-acetate

Structural Information

Molecular Formula
C8H15NO2
SMILES
CN1CCCC1CC(=O)OC
InChI
InChI=1S/C8H15NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h7H,3-6H2,1-2H3
InChIKey
PVKLAMRUYSTLJU-UHFFFAOYSA-N
Compound name
methyl 2-(1-methylpyrrolidin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

157.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.1
[M+Na]+ 180.09950 141.7
[M-H]- 156.10300 136.9
[M+NH4]+ 175.14410 156.5
[M+K]+ 196.07344 141.6
[M+H-H2O]+ 140.10754 129.1
[M+HCOO]- 202.10848 156.1
[M+CH3COO]- 216.12413 176.2
[M+Na-2H]- 178.08495 137.5
[M]+ 157.10973 134.8
[M]- 157.11083 134.8
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