CID 126838253

Tert-butyl 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC1(CC(CN1C(=O)OC(C)(C)C)O)CO
InChI
InChI=1S/C11H21NO4/c1-10(2,3)16-9(15)12-6-8(14)5-11(12,4)7-13/h8,13-14H,5-7H2,1-4H3
InChIKey
DIVFMRKFZNRXMB-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.14706 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 153.3
[M+Na]+ 254.13628 160.0
[M-H]- 230.13978 153.0
[M+NH4]+ 249.18088 172.9
[M+K]+ 270.11022 159.2
[M+H-H2O]+ 214.14432 149.5
[M+HCOO]- 276.14526 169.2
[M+CH3COO]- 290.16091 184.1
[M+Na-2H]- 252.12173 155.4
[M]+ 231.14651 153.4
[M]- 231.14761 153.4
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

No patent data available for this compound.