CID 10176661

3,4-dihydro-6-hydroxy-7-methoxy-2,2-dimethyl-1(2h)-benzopyran

Structural Information

Molecular Formula
C12H16O3
SMILES
CC1(CCC2=CC(=C(C=C2O1)OC)O)C
InChI
InChI=1S/C12H16O3/c1-12(2)5-4-8-6-9(13)11(14-3)7-10(8)15-12/h6-7,13H,4-5H2,1-3H3
InChIKey
JXPHIHWXMBYJAU-UHFFFAOYSA-N
Compound name
7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

1706
Patents

208.10994 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 143.6
[M+Na]+ 231.09916 152.5
[M-H]- 207.10266 148.0
[M+NH4]+ 226.14376 164.3
[M+K]+ 247.07310 151.5
[M+H-H2O]+ 191.10720 138.5
[M+HCOO]- 253.10814 162.4
[M+CH3COO]- 267.12379 185.0
[M+Na-2H]- 229.08461 151.1
[M]+ 208.10939 145.2
[M]- 208.11049 145.2
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