CID 389418

Nsc685500

Structural Information

Molecular Formula
C13H12N2O
SMILES
CC1=CC2=C(C=C1C)OC(=N)C(=C2C)C#N
InChI
InChI=1S/C13H12N2O/c1-7-4-10-9(3)11(6-14)13(15)16-12(10)5-8(7)2/h4-5,15H,1-3H3
InChIKey
NWSCWFLDOLSGEB-UHFFFAOYSA-N
Compound name
2-imino-4,6,7-trimethylchromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.09496 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 149.0
[M+Na]+ 235.08418 162.2
[M-H]- 211.08768 154.4
[M+NH4]+ 230.12878 166.4
[M+K]+ 251.05812 157.8
[M+H-H2O]+ 195.09222 136.7
[M+HCOO]- 257.09316 168.8
[M+CH3COO]- 271.10881 205.0
[M+Na-2H]- 233.06963 154.9
[M]+ 212.09441 146.2
[M]- 212.09551 146.2
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.