CID 11858753

3-methyl-3,4-dihydro-2h-1-benzopyran-4-ol

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1COC2=CC=CC=C2C1O
InChI
InChI=1S/C10H12O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-5,7,10-11H,6H2,1H3
InChIKey
PKGYKTZZIIPJSD-UHFFFAOYSA-N
Compound name
3-methyl-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 131.7
[M+Na]+ 187.07294 139.6
[M-H]- 163.07644 135.7
[M+NH4]+ 182.11754 151.8
[M+K]+ 203.04688 138.3
[M+H-H2O]+ 147.08098 126.4
[M+HCOO]- 209.08192 151.0
[M+CH3COO]- 223.09757 176.1
[M+Na-2H]- 185.05839 139.8
[M]+ 164.08317 130.3
[M]- 164.08427 130.3
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