CID 22134406

3-hydroxyoxolane-3-carbonitrile

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1COCC1(C#N)O
InChI
InChI=1S/C5H7NO2/c6-3-5(7)1-2-8-4-5/h7H,1-2,4H2
InChIKey
ZWPMBJQNZNDJDU-UHFFFAOYSA-N
Compound name
3-hydroxyoxolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

113.047676 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 118.3
[M+Na]+ 136.03689 128.5
[M-H]- 112.04040 121.2
[M+NH4]+ 131.08150 140.3
[M+K]+ 152.01083 127.1
[M+H-H2O]+ 96.044936 107.9
[M+HCOO]- 158.04588 136.9
[M+CH3COO]- 172.06153 176.4
[M+Na-2H]- 134.02234 126.2
[M]+ 113.04713 112.0
[M]- 113.04822 112.0
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