CID 154214325

Dtxsid801295046

Structural Information

Molecular Formula
C6H6N2O
SMILES
COC=C(CC#N)C#N
InChI
InChI=1S/C6H6N2O/c1-9-5-6(4-8)2-3-7/h5H,2H2,1H3
InChIKey
LHVISQFGPIOHFX-UHFFFAOYSA-N
Compound name
2-(methoxymethylidene)butanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.04801 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 137.3
[M+Na]+ 145.03723 146.5
[M-H]- 121.04073 139.8
[M+NH4]+ 140.08183 152.2
[M+K]+ 161.01117 145.7
[M+H-H2O]+ 105.04527 123.3
[M+HCOO]- 167.04621 150.2
[M+CH3COO]- 181.06186 207.6
[M+Na-2H]- 143.02268 140.6
[M]+ 122.04746 130.3
[M]- 122.04856 130.3
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.