CID 67587524

2770353-48-3

Structural Information

Molecular Formula
C6H13NO2
SMILES
CCN1C[C@H]([C@H](C1)O)O
InChI
InChI=1S/C6H13NO2/c1-2-7-3-5(8)6(9)4-7/h5-6,8-9H,2-4H2,1H3/t5-,6+
InChIKey
NJSDJKSVOXUBMF-OLQVQODUSA-N
Compound name
(3R,4S)-1-ethylpyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

131.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 127.7
[M+Na]+ 154.08386 135.2
[M-H]- 130.08736 127.3
[M+NH4]+ 149.12846 149.1
[M+K]+ 170.05780 133.8
[M+H-H2O]+ 114.09190 122.7
[M+HCOO]- 176.09284 147.1
[M+CH3COO]- 190.10849 166.8
[M+Na-2H]- 152.06931 130.8
[M]+ 131.09409 124.7
[M]- 131.09519 124.7
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