CID 57432319

197908-31-9

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1=C2C(CCOC2=CC=C1)O
InChI
InChI=1S/C10H12O2/c1-7-3-2-4-9-10(7)8(11)5-6-12-9/h2-4,8,11H,5-6H2,1H3
InChIKey
KYCJPMMFWPHVRX-UHFFFAOYSA-N
Compound name
5-methyl-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

164.08372 Da
Monoisotopic Mass

1.5
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