CID 600670

Lomatin

Structural Information

Molecular Formula
C14H14O4
SMILES
CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)O)C
InChI
InChI=1S/C14H14O4/c1-14(2)11(15)7-9-10(18-14)5-3-8-4-6-12(16)17-13(8)9/h3-6,11,15H,7H2,1-2H3
InChIKey
UJSHBYQGQRPVNO-UHFFFAOYSA-N
Compound name
9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

41
Patents

246.0892 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 151.1
[M+Na]+ 269.07842 166.2
[M+NH4]+ 264.12302 161.4
[M+K]+ 285.05236 158.2
[M-H]- 245.08192 156.6
[M+Na-2H]- 267.06387 157.0
[M]+ 246.08865 155.1
[M]- 246.08975 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe