CID 42444

6-methoxy-2-methyl-2h-1-benzopyran-3-carbonitrile

Structural Information

Molecular Formula
C12H11NO2
SMILES
CC1C(=CC2=C(O1)C=CC(=C2)OC)C#N
InChI
InChI=1S/C12H11NO2/c1-8-10(7-13)5-9-6-11(14-2)3-4-12(9)15-8/h3-6,8H,1-2H3
InChIKey
UUSZDXMVPFHPTG-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-2H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07898 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 141.3
[M+Na]+ 224.068198 153.2
[M-H]- 200.071704 146.2
[M+NH4]+ 219.112803 159.0
[M+K]+ 240.042138 149.7
[M+H-H2O]+ 184.076240 129.1
[M+HCOO]- 246.077181 159.6
[M+CH3COO]- 260.092831 198.4
[M+Na-2H]- 222.053646 148.5
[M]+ 201.07843142 139.0
[M]- 201.07952858 139.0
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.