CID 16665735

934841-30-2

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)[C@@H]1C[C@H](NC1=O)[C@@H]2C[C@H](C(=O)O2)C(C)C
InChI
InChI=1S/C14H23NO3/c1-7(2)9-5-11(15-13(9)16)12-6-10(8(3)4)14(17)18-12/h7-12H,5-6H2,1-4H3,(H,15,16)/t9-,10-,11-,12-/m0/s1
InChIKey
YKSBHSHXCIZLOI-BJDJZHNGSA-N
Compound name
(3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

253.1678 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 161.9
[M+Na]+ 276.157018 167.3
[M-H]- 252.160524 166.4
[M+NH4]+ 271.201623 179.4
[M+K]+ 292.130958 166.0
[M+H-H2O]+ 236.165060 156.7
[M+HCOO]- 298.166001 177.2
[M+CH3COO]- 312.181651 194.9
[M+Na-2H]- 274.142466 156.7
[M]+ 253.16725142 159.3
[M]- 253.16834858 159.3
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

patents stripe