CID 51557130

2193051-89-5

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

C1COC2=C([C@H]1N)C=C(C=C2)C#N

InChI

InChI=1S/C10H10N2O/c11-6-7-1-2-10-8(5-7)9(12)3-4-13-10/h1-2,5,9H,3-4,12H2/t9-/m0/s1

InChIKey

CJCVXXBBYAULKR-VIFPVBQESA-N

Compound name

(4S)-4-amino-3,4-dihydro-2H-chromene-6-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 174.07932 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe