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

2
Patents

159.06842 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 131.0
[M+Na]+ 182.057638 141.3
[M-H]- 158.061144 135.2
[M+NH4]+ 177.102243 149.6
[M+K]+ 198.031578 137.5
[M+H-H2O]+ 142.065680 119.0
[M+HCOO]- 204.066621 148.5
[M+CH3COO]- 218.082271 143.5
[M+Na-2H]- 180.043086 139.6
[M]+ 159.06787142 124.8
[M]- 159.06896858 124.8
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