CID 12357018

58621-52-6

Structural Information

Molecular Formula
C11H12O2
SMILES
CC(=O)C1=CC2=C(C=C1)OCCC2
InChI
InChI=1S/C11H12O2/c1-8(12)9-4-5-11-10(7-9)3-2-6-13-11/h4-5,7H,2-3,6H2,1H3
InChIKey
BAXUMNKQKVFPNU-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-chromen-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

176.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 135.8
[M+Na]+ 199.07294 149.2
[M+NH4]+ 194.11754 145.4
[M+K]+ 215.04688 142.7
[M-H]- 175.07644 140.0
[M+Na-2H]- 197.05839 141.9
[M]+ 176.08317 138.9
[M]- 176.08427 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe