CID 290220

2-amino-4,5-dimethyl-3-furancarbonitrile

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC1=C(OC(=C1C#N)N)C
InChI
InChI=1S/C7H8N2O/c1-4-5(2)10-7(9)6(4)3-8/h9H2,1-2H3
InChIKey
ACHDPRAJHGRGDC-UHFFFAOYSA-N
Compound name
2-amino-4,5-dimethylfuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

164
Patents

136.06366 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 126.4
[M+Na]+ 159.05288 138.2
[M-H]- 135.05638 130.6
[M+NH4]+ 154.09748 146.6
[M+K]+ 175.02682 137.1
[M+H-H2O]+ 119.06092 114.8
[M+HCOO]- 181.06186 148.1
[M+CH3COO]- 195.07751 188.9
[M+Na-2H]- 157.03833 131.3
[M]+ 136.06311 122.5
[M]- 136.06421 122.5
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