CID 65440657

676134-24-0

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC(C)C1=CC2=C(C=C1)OCC[C@H]2N

InChI

InChI=1S/C12H17NO/c1-8(2)9-3-4-12-10(7-9)11(13)5-6-14-12/h3-4,7-8,11H,5-6,13H2,1-2H3/t11-/m1/s1

InChIKey

PSDNIJBKFHYFOY-LLVKDONJSA-N

Compound name

(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 191.13101 Da
Monoisotopic Mass: 2.0
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]+	192.13829	143.2
[M+Na]+	214.12023	149.6
[M-H]-	190.12373	147.6
[M+NH4]+	209.16483	162.2
[M+K]+	230.09417	148.1
[M+H-H2O]+	174.12827	137.1
[M+HCOO]-	236.12921	162.4
[M+CH3COO]-	250.14486	187.8
[M+Na-2H]-	212.10568	148.5
[M]+	191.13046	140.5
[M]-	191.13156	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe