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

23
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 112.1
[M+Na]+ 136.03689 120.4
[M-H]- 112.04040 115.5
[M+NH4]+ 131.08150 126.9
[M+K]+ 152.01083 124.4
[M+H-H2O]+ 96.044936 98.0
[M+HCOO]- 158.04588 129.8
[M+CH3COO]- 172.06153 181.4
[M+Na-2H]- 134.02234 121.5
[M]+ 113.04713 115.3
[M]- 113.04822 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