CID 46918460

850785-06-7

Structural Information

Molecular Formula

C₁₄H₁₆O₃

SMILES

CC1(C=CC2=C(O1)C=CC(=C2)CC(=O)OC)C

InChI

InChI=1S/C14H16O3/c1-14(2)7-6-11-8-10(9-13(15)16-3)4-5-12(11)17-14/h4-8H,9H2,1-3H3

InChIKey

UCTAFNVZZHZYCV-UHFFFAOYSA-N

Compound name

methyl 2-(2,2-dimethylchromen-6-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 22
Patents: 232.10994 Da
Monoisotopic Mass: 2.6
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]+	233.11722	150.8
[M+Na]+	255.09916	164.5
[M+NH4]+	250.14376	160.8
[M+K]+	271.07310	156.2
[M-H]-	231.10266	154.6
[M+Na-2H]-	253.08461	157.9
[M]+	232.10939	154.1
[M]-	232.11049	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe