CID 51342197

Tert-butyl (2s)-3-hydroxy-2-isopropyl-5-oxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)[C@H]1C(CC(=O)N1C(=O)OC(C)(C)C)O
InChI
InChI=1S/C12H21NO4/c1-7(2)10-8(14)6-9(15)13(10)11(16)17-12(3,4)5/h7-8,10,14H,6H2,1-5H3/t8?,10-/m0/s1
InChIKey
CTIQWEXQRFSHLG-HTLJXXAVSA-N
Compound name
tert-butyl (2S)-3-hydroxy-5-oxo-2-propan-2-ylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

243.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 155.8
[M+Na]+ 266.136278 162.6
[M-H]- 242.139784 156.9
[M+NH4]+ 261.180883 173.8
[M+K]+ 282.110218 162.1
[M+H-H2O]+ 226.144320 151.1
[M+HCOO]- 288.145261 172.1
[M+CH3COO]- 302.160911 191.3
[M+Na-2H]- 264.121726 154.7
[M]+ 243.14651142 156.9
[M]- 243.14760858 156.9
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

patents stripe