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 148.4
[M+Na]+ 238.10497 154.5
[M-H]- 214.10847 149.0
[M+NH4]+ 233.14957 166.8
[M+K]+ 254.07891 153.9
[M+H-H2O]+ 198.11301 142.5
[M+HCOO]- 260.11395 166.8
[M+CH3COO]- 274.12960 185.0
[M+Na-2H]- 236.09042 147.7
[M]+ 215.11520 148.9
[M]- 215.11630 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.