CID 51342197

1265908-09-5

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]+ 244.15434 155.8
[M+Na]+ 266.13628 162.6
[M-H]- 242.13978 156.9
[M+NH4]+ 261.18088 173.8
[M+K]+ 282.11022 162.1
[M+H-H2O]+ 226.14432 151.1
[M+HCOO]- 288.14526 172.1
[M+CH3COO]- 302.16091 191.3
[M+Na-2H]- 264.12173 154.7
[M]+ 243.14651 156.9
[M]- 243.14761 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