CID 4962721

(tetrahydrofuran-2-yl)acetonitrile

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CC(OC1)CC#N
InChI
InChI=1S/C6H9NO/c7-4-3-6-2-1-5-8-6/h6H,1-3,5H2
InChIKey
LSCVJPYMXOAEPX-UHFFFAOYSA-N
Compound name
2-(oxolan-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

419
Patents

111.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 118.7
[M+Na]+ 134.05763 127.8
[M-H]- 110.06113 122.2
[M+NH4]+ 129.10223 139.5
[M+K]+ 150.03157 127.1
[M+H-H2O]+ 94.065670 107.1
[M+HCOO]- 156.06661 138.0
[M+CH3COO]- 170.08226 180.1
[M+Na-2H]- 132.04308 125.4
[M]+ 111.06786 112.7
[M]- 111.06896 112.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe