CID 91844848

1337839-72-1

Structural Information

Molecular Formula
C12H11NO2
SMILES
COC1=C(C=C2CCCC(=O)C2=C1)C#N
InChI
InChI=1S/C12H11NO2/c1-15-12-6-10-8(5-9(12)7-13)3-2-4-11(10)14/h5-6H,2-4H2,1H3
InChIKey
HREDCXDGJJPZEW-UHFFFAOYSA-N
Compound name
3-methoxy-5-oxo-7,8-dihydro-6H-naphthalene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 144.9
[M+Na]+ 224.06820 157.6
[M+NH4]+ 219.11280 150.4
[M+K]+ 240.04214 147.5
[M-H]- 200.07170 140.2
[M+Na-2H]- 222.05365 148.1
[M]+ 201.07843 144.6
[M]- 201.07953 144.6
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