CID 100527

62669-74-3

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

CN(C)C1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2

InChI

InChI=1S/C14H15NO2/c1-15(2)9-6-7-11-10-4-3-5-12(10)14(16)17-13(11)8-9/h6-8H,3-5H2,1-2H3

InChIKey

RIUSGHALMCFISX-UHFFFAOYSA-N

Compound name

7-(dimethylamino)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1257
Patents: 229.11028 Da
Monoisotopic Mass: 2.4
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]+	230.117556	148.3
[M+Na]+	252.099498	157.6
[M-H]-	228.103004	156.3
[M+NH4]+	247.144103	169.8
[M+K]+	268.073438	156.0
[M+H-H2O]+	212.107540	142.4
[M+HCOO]-	274.108481	171.4
[M+CH3COO]-	288.124131	162.6
[M+Na-2H]-	250.084946	154.8
[M]+	229.10973142	151.3
[M]-	229.11082858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe