CID 656877

127926-10-7

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

CC1=CC2=C(C=C[C@@H]([C@@H]2O)O)C=C1

InChI

InChI=1S/C11H12O2/c1-7-2-3-8-4-5-10(12)11(13)9(8)6-7/h2-6,10-13H,1H3/t10-,11+/m0/s1

InChIKey

ISBMHLUJIIODOL-WDEREUQCSA-N

Compound name

(1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 176.08372 Da
Monoisotopic Mass: 1.1
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]+	177.09100	135.0
[M+Na]+	199.07294	143.9
[M-H]-	175.07644	137.5
[M+NH4]+	194.11754	155.6
[M+K]+	215.04688	140.3
[M+H-H2O]+	159.08098	130.1
[M+HCOO]-	221.08192	154.8
[M+CH3COO]-	235.09757	177.5
[M+Na-2H]-	197.05839	141.5
[M]+	176.08317	133.4
[M]-	176.08427	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe