CID 12249666

53616-31-2

Structural Information

Molecular Formula
C11H14O2
SMILES
CC1(C2=C(CCO1)C=C(C=C2)O)C
InChI
InChI=1S/C11H14O2/c1-11(2)10-4-3-9(12)7-8(10)5-6-13-11/h3-4,7,12H,5-6H2,1-2H3
InChIKey
BHGVXSLDRULBMP-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3,4-dihydroisochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

178.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 136.3
[M+Na]+ 201.088598 144.8
[M-H]- 177.092104 140.6
[M+NH4]+ 196.133203 158.0
[M+K]+ 217.062538 143.5
[M+H-H2O]+ 161.096640 131.4
[M+HCOO]- 223.097581 155.3
[M+CH3COO]- 237.113231 178.7
[M+Na-2H]- 199.074046 144.9
[M]+ 178.09883142 135.6
[M]- 178.09992858 135.6
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