CID 5322280

3-hydroxy-4-methyl-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C14H14O3
SMILES
CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)O
InChI
InChI=1S/C14H14O3/c1-8-12(15)7-6-10-9-4-2-3-5-11(9)14(16)17-13(8)10/h6-7,15H,2-5H2,1H3
InChIKey
OLCPVIMTGKFYJC-UHFFFAOYSA-N
Compound name
3-hydroxy-4-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

230.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.10158 146.6
[M+Na]+ 253.08352 156.2
[M-H]- 229.08702 151.9
[M+NH4]+ 248.12812 165.3
[M+K]+ 269.05746 153.3
[M+H-H2O]+ 213.09156 140.4
[M+HCOO]- 275.09250 164.6
[M+CH3COO]- 289.10815 159.7
[M+Na-2H]- 251.06897 154.2
[M]+ 230.09375 146.9
[M]- 230.09485 146.9
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