CID 90658626

4-(1-methyl-5-hydroxy-2-pyrrolidinyl)-3-oxobutanoate methyl ester

Structural Information

Molecular Formula
C10H17NO4
SMILES
CN1C(CCC1O)CC(=O)CC(=O)OC
InChI
InChI=1S/C10H17NO4/c1-11-7(3-4-9(11)13)5-8(12)6-10(14)15-2/h7,9,13H,3-6H2,1-2H3
InChIKey
MAAWASALXHTIIA-UHFFFAOYSA-N
Compound name
methyl 4-(5-hydroxy-1-methylpyrrolidin-2-yl)-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

215.11575 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 149.4
[M+Na]+ 238.10497 156.7
[M+NH4]+ 233.14957 154.7
[M+K]+ 254.07891 155.6
[M-H]- 214.10847 147.1
[M+Na-2H]- 236.09042 149.8
[M]+ 215.11520 149.2
[M]- 215.11630 149.2
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

No patent data available for this compound.