CID 23589003

Tert-butyl 4-hydroxy-2-(propan-2-yl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(C)C1CC(CN1C(=O)OC(C)(C)C)O
InChI
InChI=1S/C12H23NO3/c1-8(2)10-6-9(14)7-13(10)11(15)16-12(3,4)5/h8-10,14H,6-7H2,1-5H3
InChIKey
FJHPEVGAZVQMHL-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

229.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.175076 155.7
[M+Na]+ 252.157018 161.5
[M-H]- 228.160524 156.5
[M+NH4]+ 247.201623 174.1
[M+K]+ 268.130958 161.0
[M+H-H2O]+ 212.165060 150.7
[M+HCOO]- 274.166001 171.7
[M+CH3COO]- 288.181651 188.8
[M+Na-2H]- 250.142466 154.9
[M]+ 229.16725142 155.7
[M]- 229.16834858 155.7
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