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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.101576	139.5
[M+Na]+	217.083518	146.9
[M-H]-	193.087024	143.3
[M+NH4]+	212.128123	158.3
[M+K]+	233.057458	145.9
[M+H-H2O]+	177.091560	133.8
[M+HCOO]-	239.092501	158.7
[M+CH3COO]-	253.108151	181.3
[M+Na-2H]-	215.068966	147.1
[M]+	194.09375142	140.0
[M]-	194.09484858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe