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]+ 123.055286 137.3
[M+Na]+ 145.037228 146.5
[M-H]- 121.040734 139.8
[M+NH4]+ 140.081833 152.2
[M+K]+ 161.011168 145.7
[M+H-H2O]+ 105.045270 123.3
[M+HCOO]- 167.046211 150.2
[M+CH3COO]- 181.061861 207.6
[M+Na-2H]- 143.022676 140.6
[M]+ 122.04746142 130.3
[M]- 122.04855858 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.