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 119.1
[M+Na]+ 132.04198 128.6
[M-H]- 108.04549 122.7
[M+NH4]+ 127.08659 140.0
[M+K]+ 148.01592 127.3
[M+H-H2O]+ 92.050025 107.6
[M+HCOO]- 154.05097 138.6
[M+CH3COO]- 168.06662 178.7
[M+Na-2H]- 130.02743 125.7
[M]+ 109.05222 112.4
[M]- 109.05331 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