CID 15109299

4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoate methyl ester

Structural Information

Molecular Formula
C10H17NO3
SMILES
CN1CCCC1CC(=O)CC(=O)OC
InChI
InChI=1S/C10H17NO3/c1-11-5-3-4-8(11)6-9(12)7-10(13)14-2/h8H,3-7H2,1-2H3
InChIKey
XGYNOAIEFHWEHA-UHFFFAOYSA-N
Compound name
methyl 4-(1-methylpyrrolidin-2-yl)-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 145.9
[M+Na]+ 222.11007 151.7
[M-H]- 198.11357 147.6
[M+NH4]+ 217.15467 165.5
[M+K]+ 238.08401 151.4
[M+H-H2O]+ 182.11811 139.7
[M+HCOO]- 244.11905 165.7
[M+CH3COO]- 258.13470 184.3
[M+Na-2H]- 220.09552 146.2
[M]+ 199.12030 146.5
[M]- 199.12140 146.5
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.