CID 91208959

1393732-25-6

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@@H](C1)CO)CO
InChI
InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-4-8(6-13)9(5-12)7-14/h8-9,13-14H,4-7H2,1-3H3/t8-,9+
InChIKey
HEFYZXCUGNIOCW-DTORHVGOSA-N
Compound name
tert-butyl (3S,4R)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

231.14706 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 155.2
[M+Na]+ 254.13628 161.0
[M-H]- 230.13978 154.5
[M+NH4]+ 249.18088 172.7
[M+K]+ 270.11022 159.9
[M+H-H2O]+ 214.14432 150.1
[M+HCOO]- 276.14526 171.1
[M+CH3COO]- 290.16091 184.5
[M+Na-2H]- 252.12173 155.6
[M]+ 231.14651 154.9
[M]- 231.14761 154.9
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