CID 12511859

3,4-dihydro-1h-2-benzopyran-1-carbonitrile

Structural Information

Molecular Formula
C10H9NO
SMILES
C1COC(C2=CC=CC=C21)C#N
InChI
InChI=1S/C10H9NO/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10H,5-6H2
InChIKey
ARLGORVIXMZQDV-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-isochromene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

159.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 137.1
[M+Na]+ 182.05764 150.3
[M+NH4]+ 177.10224 143.6
[M+K]+ 198.03158 140.0
[M-H]- 158.06114 134.2
[M+Na-2H]- 180.04309 141.1
[M]+ 159.06787 137.5
[M]- 159.06897 137.5
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