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 (3R,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

231.14706 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 155.2
[M+Na]+ 254.136278 161.0
[M-H]- 230.139784 154.5
[M+NH4]+ 249.180883 172.7
[M+K]+ 270.110218 159.9
[M+H-H2O]+ 214.144320 150.1
[M+HCOO]- 276.145261 171.1
[M+CH3COO]- 290.160911 184.5
[M+Na-2H]- 252.121726 155.6
[M]+ 231.14651142 154.9
[M]- 231.14760858 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