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]+ 200.128126 145.9
[M+Na]+ 222.110068 151.7
[M-H]- 198.113574 147.6
[M+NH4]+ 217.154673 165.5
[M+K]+ 238.084008 151.4
[M+H-H2O]+ 182.118110 139.7
[M+HCOO]- 244.119051 165.7
[M+CH3COO]- 258.134701 184.3
[M+Na-2H]- 220.095516 146.2
[M]+ 199.12030142 146.5
[M]- 199.12139858 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.