CID 68103

2,5-dimethylresorcinol

Structural Information

Molecular Formula
C8H10O2
SMILES
CC1=CC(=C(C(=C1)O)C)O
InChI
InChI=1S/C8H10O2/c1-5-3-7(9)6(2)8(10)4-5/h3-4,9-10H,1-2H3
InChIKey
GHVHDYYKJYXFGU-UHFFFAOYSA-N
Compound name
2,5-dimethylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

4150
Patents

138.06808 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 125.1
[M+Na]+ 161.05730 134.9
[M-H]- 137.06080 127.2
[M+NH4]+ 156.10190 146.4
[M+K]+ 177.03124 132.6
[M+H-H2O]+ 121.06534 120.9
[M+HCOO]- 183.06628 147.5
[M+CH3COO]- 197.08193 170.5
[M+Na-2H]- 159.04275 130.9
[M]+ 138.06753 125.0
[M]- 138.06863 125.0
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.