CID 9990345

2-(3-cyano-4,5,5-trimethylfuran-2(5h)-ylidene)malononitrile

Structural Information

Molecular Formula
C11H9N3O
SMILES
CC1=C(C(=C(C#N)C#N)OC1(C)C)C#N
InChI
InChI=1S/C11H9N3O/c1-7-9(6-14)10(8(4-12)5-13)15-11(7,2)3/h1-3H3
InChIKey
FLMBQNOAWLPZPJ-UHFFFAOYSA-N
Compound name
2-(3-cyano-4,5,5-trimethylfuran-2-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

197
Patents

199.07455 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08183 163.7
[M+Na]+ 222.06377 172.6
[M-H]- 198.06727 168.3
[M+NH4]+ 217.10837 172.5
[M+K]+ 238.03771 169.1
[M+H-H2O]+ 182.07181 151.1
[M+HCOO]- 244.07275 169.0
[M+CH3COO]- 258.08840 235.0
[M+Na-2H]- 220.04922 162.3
[M]+ 199.07400 156.7
[M]- 199.07510 156.7
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.