CID 441155

Cis-1,2-dihydro-3-ethylcatechol

Structural Information

Molecular Formula
C8H12O2
SMILES
CCC1=CC=C[C@@H]([C@@H]1O)O
InChI
InChI=1S/C8H12O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,7-10H,2H2,1H3/t7-,8+/m0/s1
InChIKey
BACDCBUEYBFLFV-JGVFFNPUSA-N
Compound name
(1S,2R)-3-ethylcyclohexa-3,5-diene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

140.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 127.7
[M+Na]+ 163.07294 139.7
[M+NH4]+ 158.11754 136.2
[M+K]+ 179.04688 134.1
[M-H]- 139.07644 129.0
[M+Na-2H]- 161.05839 133.3
[M]+ 140.08317 129.6
[M]- 140.08427 129.6
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