CID 86750346

Schembl21827788

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1[C@H]([C@@H](CO1)O)C#N
InChI
InChI=1S/C5H7NO2/c6-1-4-2-8-3-5(4)7/h4-5,7H,2-3H2/t4-,5-/m1/s1
InChIKey
KZVPMNPHZILVPO-RFZPGFLSSA-N
Compound name
(3R,4S)-4-hydroxyoxolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

113.047676 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 118.0
[M+Na]+ 136.03689 127.8
[M-H]- 112.04040 120.7
[M+NH4]+ 131.08150 138.3
[M+K]+ 152.01083 127.0
[M+H-H2O]+ 96.044936 106.9
[M+HCOO]- 158.04588 136.4
[M+CH3COO]- 172.06153 177.8
[M+Na-2H]- 134.02234 124.1
[M]+ 113.04713 111.5
[M]- 113.04822 111.5
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