CID 10954598

121021-88-3

Structural Information

Molecular Formula
C12H11NO2
SMILES
CC1(CC(=O)C2=C(O1)C=CC(=C2)C#N)C
InChI
InChI=1S/C12H11NO2/c1-12(2)6-10(14)9-5-8(7-13)3-4-11(9)15-12/h3-5H,6H2,1-2H3
InChIKey
RGYKRQIZIXTZDV-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-oxo-3H-chromene-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

201.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 141.5
[M+Na]+ 224.06820 154.0
[M-H]- 200.07170 146.7
[M+NH4]+ 219.11280 161.0
[M+K]+ 240.04214 149.6
[M+H-H2O]+ 184.07624 130.1
[M+HCOO]- 246.07718 158.8
[M+CH3COO]- 260.09283 197.6
[M+Na-2H]- 222.05365 149.0
[M]+ 201.07843 137.7
[M]- 201.07953 137.7
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

patents stripe