CID 10512002

(7-methoxy-3,4-dihydro-2h-1-benzopyran-2-yl)methanol

Structural Information

Molecular Formula
C11H14O3
SMILES
COC1=CC2=C(CCC(O2)CO)C=C1
InChI
InChI=1S/C11H14O3/c1-13-9-4-2-8-3-5-10(7-12)14-11(8)6-9/h2,4,6,10,12H,3,5,7H2,1H3
InChIKey
PEYJKKSPJUOALY-UHFFFAOYSA-N
Compound name
(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

194.0943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 139.5
[M+Na]+ 217.08352 146.9
[M-H]- 193.08702 143.3
[M+NH4]+ 212.12812 158.3
[M+K]+ 233.05746 145.9
[M+H-H2O]+ 177.09156 133.8
[M+HCOO]- 239.09250 158.7
[M+CH3COO]- 253.10815 181.3
[M+Na-2H]- 215.06897 147.1
[M]+ 194.09375 140.0
[M]- 194.09485 140.0
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