CID 9543035

Styrene cis-glycol

Structural Information

Molecular Formula

C₈H₁₀O₂

SMILES

C=CC1=CC=C[C@H]([C@H]1O)O

InChI

InChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h2-5,7-10H,1H2/t7-,8+/m1/s1

InChIKey

VQKKVCTZENPFCZ-SFYZADRCSA-N

Compound name

(1R,2S)-3-ethenylcyclohexa-3,5-diene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 138.06808 Da
Monoisotopic Mass: 0.3
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]+	139.07536	127.0
[M+Na]+	161.05730	139.1
[M+NH4]+	156.10190	135.3
[M+K]+	177.03124	133.4
[M-H]-	137.06080	128.1
[M+Na-2H]-	159.04275	132.6
[M]+	138.06753	128.9
[M]-	138.06863	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe