CID 15338705

220634-41-3

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1(CC(C2=CC=CC=C2O1)N)C

InChI

InChI=1S/C11H15NO/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11/h3-6,9H,7,12H2,1-2H3

InChIKey

YSTIIIRGSQEQNH-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3,4-dihydrochromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 177.11537 Da
Monoisotopic Mass: 1.5
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]+	178.12265	137.6
[M+Na]+	200.10459	145.7
[M-H]-	176.10809	142.5
[M+NH4]+	195.14919	159.4
[M+K]+	216.07853	144.2
[M+H-H2O]+	160.11263	132.2
[M+HCOO]-	222.11357	158.2
[M+CH3COO]-	236.12922	183.4
[M+Na-2H]-	198.09004	145.8
[M]+	177.11482	135.6
[M]-	177.11592	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe