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

19
Patents

113.047676 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 121.6
[M+Na]+ 136.03689 127.8
[M+NH4]+ 131.08150 124.1
[M+K]+ 152.01083 121.0
[M-H]- 112.04040 113.9
[M+Na-2H]- 134.02234 123.1
[M]+ 113.04713 118.5
[M]- 113.04822 118.5
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