CID 11007909

2-(3-(hydroxymethyl)oxetan-3-yl)acetonitrile

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1C(CO1)(CC#N)CO
InChI
InChI=1S/C6H9NO2/c7-2-1-6(3-8)4-9-5-6/h8H,1,3-5H2
InChIKey
FQVIUCMKUIUWKC-UHFFFAOYSA-N
Compound name
2-[3-(hydroxymethyl)oxetan-3-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

127.06333 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 125.7
[M+Na]+ 150.05255 131.7
[M+NH4]+ 145.09715 128.0
[M+K]+ 166.02649 124.6
[M-H]- 126.05605 117.9
[M+Na-2H]- 148.03800 126.9
[M]+ 127.06278 122.5
[M]- 127.06388 122.5
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