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

215
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

literature stripe

Patent stripe

patents stripe