CID 389417

2-imino-4-methyl-2h-1-benzopyran-3-carbonitrile

Structural Information

Molecular Formula
C11H8N2O
SMILES
CC1=C(C(=N)OC2=CC=CC=C12)C#N
InChI
InChI=1S/C11H8N2O/c1-7-8-4-2-3-5-10(8)14-11(13)9(7)6-12/h2-5,13H,1H3
InChIKey
IFYWXSYHMKSWQH-UHFFFAOYSA-N
Compound name
2-imino-4-methylchromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06366 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 140.8
[M+Na]+ 207.05288 153.3
[M-H]- 183.05638 145.8
[M+NH4]+ 202.09748 158.6
[M+K]+ 223.02682 148.9
[M+H-H2O]+ 167.06092 128.4
[M+HCOO]- 229.06186 161.2
[M+CH3COO]- 243.07751 153.6
[M+Na-2H]- 205.03833 149.0
[M]+ 184.06311 136.6
[M]- 184.06421 136.6
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

No patent data available for this compound.