CID 131547096

Rac-tert-butyl (3r,4s)-3-hydroxy-4-(propan-2-yl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(C)[C@@H]1CN(C[C@H]1O)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO3/c1-8(2)9-6-13(7-10(9)14)11(15)16-12(3,4)5/h8-10,14H,6-7H2,1-5H3/t9-,10+/m0/s1
InChIKey
SIAYMOIYVZXQNT-VHSXEESVSA-N
Compound name
tert-butyl (3S,4R)-3-hydroxy-4-propan-2-ylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 155.7
[M+Na]+ 252.15702 161.5
[M-H]- 228.16052 156.5
[M+NH4]+ 247.20162 174.1
[M+K]+ 268.13096 161.0
[M+H-H2O]+ 212.16506 150.7
[M+HCOO]- 274.16600 171.7
[M+CH3COO]- 288.18165 188.8
[M+Na-2H]- 250.14247 154.9
[M]+ 229.16725 155.7
[M]- 229.16835 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