CID 22474683

Refchem:910026

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1(CCC2=CC=CC=C2O1)N

InChI

InChI=1S/C10H13NO/c1-10(11)7-6-8-4-2-3-5-9(8)12-10/h2-5H,6-7,11H2,1H3

InChIKey

ZQFGTJLFYMYOQE-UHFFFAOYSA-N

Compound name

2-methyl-3,4-dihydrochromen-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 119
References: 28
Patents: 163.09972 Da
Monoisotopic Mass: 1.7
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]+	164.106996	133.1
[M+Na]+	186.088938	140.8
[M-H]-	162.092444	137.9
[M+NH4]+	181.133543	155.2
[M+K]+	202.062878	139.5
[M+H-H2O]+	146.096980	127.7
[M+HCOO]-	208.097921	154.2
[M+CH3COO]-	222.113571	146.8
[M+Na-2H]-	184.074386	142.6
[M]+	163.09917142	130.4
[M]-	163.10026858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe