CID 16244435

3-amino-3,4-dihydro-2h-1-benzopyran-6-carbonitrile hydrochloride

Structural Information

Molecular Formula
C10H10N2O
SMILES
C1C(COC2=C1C=C(C=C2)C#N)N
InChI
InChI=1S/C10H10N2O/c11-5-7-1-2-10-8(3-7)4-9(12)6-13-10/h1-3,9H,4,6,12H2
InChIKey
VPQCOUPCKJVUEB-UHFFFAOYSA-N
Compound name
3-amino-3,4-dihydro-2H-chromene-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

174.07932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 142.1
[M+Na]+ 197.06854 154.1
[M+NH4]+ 192.11314 147.9
[M+K]+ 213.04248 144.5
[M-H]- 173.07204 139.2
[M+Na-2H]- 195.05399 145.0
[M]+ 174.07877 142.1
[M]- 174.07987 142.1
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