CID 63333093

2-(oxolan-3-ylidene)acetonitrile

Structural Information

Molecular Formula
C6H7NO
SMILES
C\1COC/C1=C\C#N
InChI
InChI=1S/C6H7NO/c7-3-1-6-2-4-8-5-6/h1H,2,4-5H2/b6-1-
InChIKey
RDWWMQDCKZIDJM-BHQIHCQQSA-N
Compound name
(2Z)-2-(oxolan-3-ylidene)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

109.052765 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 124.3
[M+Na]+ 132.04198 134.4
[M+NH4]+ 127.08659 129.7
[M+K]+ 148.01592 127.4
[M-H]- 108.04549 119.4
[M+Na-2H]- 130.02743 126.5
[M]+ 109.05222 123.4
[M]- 109.05331 123.4
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