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	137.1
[M+Na]+	197.06854	147.2
[M-H]-	173.07204	141.0
[M+NH4]+	192.11314	154.8
[M+K]+	213.04248	143.5
[M+H-H2O]+	157.07658	124.9
[M+HCOO]-	219.07752	154.7
[M+CH3COO]-	233.09317	149.0
[M+Na-2H]-	195.05399	144.2
[M]+	174.07877	129.6
[M]-	174.07987	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe