CID 43037

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

Structural Information

Molecular Formula
C12H11NO2
SMILES
CC1C(=CC2=C(O1)C=C(C=C2)OC)C#N
InChI
InChI=1S/C12H11NO2/c1-8-10(7-13)5-9-3-4-11(14-2)6-12(9)15-8/h3-6,8H,1-2H3
InChIKey
YXIHLMRVNFJZGC-UHFFFAOYSA-N
Compound name
7-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]+ 202.08626 141.3
[M+Na]+ 224.06820 153.2
[M-H]- 200.07170 146.2
[M+NH4]+ 219.11280 159.0
[M+K]+ 240.04214 149.7
[M+H-H2O]+ 184.07624 129.1
[M+HCOO]- 246.07718 159.6
[M+CH3COO]- 260.09283 198.4
[M+Na-2H]- 222.05365 148.5
[M]+ 201.07843 139.0
[M]- 201.07953 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.