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

1
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 131.0
[M+Na]+ 182.05764 141.3
[M-H]- 158.06114 135.2
[M+NH4]+ 177.10224 149.6
[M+K]+ 198.03158 137.5
[M+H-H2O]+ 142.06568 119.0
[M+HCOO]- 204.06662 148.5
[M+CH3COO]- 218.08227 143.5
[M+Na-2H]- 180.04309 139.6
[M]+ 159.06787 124.8
[M]- 159.06897 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