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
2
Annotation Hits

0
References

10
Patents

157.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 135.1
[M+Na]+ 180.099498 141.7
[M-H]- 156.103004 136.9
[M+NH4]+ 175.144103 156.5
[M+K]+ 196.073438 141.6
[M+H-H2O]+ 140.107540 129.1
[M+HCOO]- 202.108481 156.1
[M+CH3COO]- 216.124131 176.2
[M+Na-2H]- 178.084946 137.5
[M]+ 157.10973142 134.8
[M]- 157.11082858 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