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]+ 110.060041 119.1
[M+Na]+ 132.041983 128.6
[M-H]- 108.045489 122.7
[M+NH4]+ 127.086588 140.0
[M+K]+ 148.015923 127.3
[M+H-H2O]+ 92.050025 107.6
[M+HCOO]- 154.050966 138.6
[M+CH3COO]- 168.066616 178.7
[M+Na-2H]- 130.027431 125.7
[M]+ 109.05221642 112.4
[M]- 109.05331358 112.4
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