CID 53302312

Tert-butyl (3s,4r)-3-hydroxy-4-methylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H19NO3
SMILES
C[C@@H]1CN(C[C@H]1O)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO3/c1-7-5-11(6-8(7)12)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKey
YMSRLPJZNWGMAM-HTQZYQBOSA-N
Compound name
tert-butyl (3S,4R)-3-hydroxy-4-methylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

201.13649 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.143766 147.1
[M+Na]+ 224.125708 153.9
[M-H]- 200.129214 148.0
[M+NH4]+ 219.170313 166.6
[M+K]+ 240.099648 153.3
[M+H-H2O]+ 184.133750 142.1
[M+HCOO]- 246.134691 164.6
[M+CH3COO]- 260.150341 181.9
[M+Na-2H]- 222.111156 148.4
[M]+ 201.13594142 146.8
[M]- 201.13703858 146.8
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