CID 71755913

3-(hydroxymethyl)oxetane-3-carbonitrile

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1C(CO1)(CO)C#N
InChI
InChI=1S/C5H7NO2/c6-1-5(2-7)3-8-4-5/h7H,2-4H2
InChIKey
XKFCRVZKLSODEJ-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)oxetane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

113.047676 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 112.1
[M+Na]+ 136.036894 120.4
[M-H]- 112.040400 115.5
[M+NH4]+ 131.081499 126.9
[M+K]+ 152.010834 124.4
[M+H-H2O]+ 96.044936 98.0
[M+HCOO]- 158.045877 129.8
[M+CH3COO]- 172.061527 181.4
[M+Na-2H]- 134.022342 121.5
[M]+ 113.04712742 115.3
[M]- 113.04822458 115.3
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