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]+ 216.123026 148.4
[M+Na]+ 238.104968 154.5
[M-H]- 214.108474 149.0
[M+NH4]+ 233.149573 166.8
[M+K]+ 254.078908 153.9
[M+H-H2O]+ 198.113010 142.5
[M+HCOO]- 260.113951 166.8
[M+CH3COO]- 274.129601 185.0
[M+Na-2H]- 236.090416 147.7
[M]+ 215.11520142 148.9
[M]- 215.11629858 148.9
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.