CID 13953726

21875-91-2

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1=C2C(=O)CCOC2=C(C=C1)C
InChI
InChI=1S/C11H12O2/c1-7-3-4-8(2)11-10(7)9(12)5-6-13-11/h3-4H,5-6H2,1-2H3
InChIKey
NGHNVBFCBFQAEY-UHFFFAOYSA-N
Compound name
5,8-dimethyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

176.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 134.8
[M+Na]+ 199.07294 149.3
[M+NH4]+ 194.11754 144.6
[M+K]+ 215.04688 142.5
[M-H]- 175.07644 139.4
[M+Na-2H]- 197.05839 140.9
[M]+ 176.08317 138.3
[M]- 176.08427 138.3
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