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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 126.3
[M+Na]+ 161.05730 134.5
[M-H]- 137.06080 127.7
[M+NH4]+ 156.10190 147.1
[M+K]+ 177.03124 131.7
[M+H-H2O]+ 121.06534 121.9
[M+HCOO]- 183.06628 147.4
[M+CH3COO]- 197.08193 168.8
[M+Na-2H]- 159.04275 131.8
[M]+ 138.06753 123.7
[M]- 138.06863 123.7
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