CID 79117672

2-(1-hydroxycyclobutyl)acetonitrile

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CC(C1)(CC#N)O
InChI
InChI=1S/C6H9NO/c7-5-4-6(8)2-1-3-6/h8H,1-4H2
InChIKey
WGUOXDXKHXMBIS-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclobutyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.06841 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 123.0
[M+Na]+ 134.05763 129.1
[M+NH4]+ 129.10223 125.9
[M+K]+ 150.03157 121.3
[M-H]- 110.06113 114.6
[M+Na-2H]- 132.04308 124.9
[M]+ 111.06786 119.6
[M]- 111.06896 119.6
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

No patent data available for this compound.