CID 176951

Cis-1,2-dihydrocatechol

Structural Information

Molecular Formula
C6H8O2
SMILES
C1=C[C@H]([C@H](C=C1)O)O
InChI
InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H/t5-,6+
InChIKey
YDRSQRPHLBEPTP-OLQVQODUSA-N
Compound name
(1R,2S)-cyclohexa-3,5-diene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

82
References

652
Patents

112.05243 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 119.0
[M+Na]+ 135.04165 126.8
[M-H]- 111.04515 120.3
[M+NH4]+ 130.08625 140.6
[M+K]+ 151.01559 125.1
[M+H-H2O]+ 95.049690 114.6
[M+HCOO]- 157.05063 140.6
[M+CH3COO]- 171.06628 162.4
[M+Na-2H]- 133.02710 126.2
[M]+ 112.05188 115.9
[M]- 112.05298 115.9
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

No patent data available for this compound.