CID 10436

Orcinol

Structural Information

Molecular Formula
C7H8O2
SMILES
CC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
InChIKey
OIPPWFOQEKKFEE-UHFFFAOYSA-N
Compound name
5-methylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

188
References

17719
Patents

124.05243 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.05971 121.1
[M+Na]+ 147.04165 130.4
[M-H]- 123.04515 123.0
[M+NH4]+ 142.08625 142.7
[M+K]+ 163.01559 128.3
[M+H-H2O]+ 107.04969 116.8
[M+HCOO]- 169.05063 143.9
[M+CH3COO]- 183.06628 166.3
[M+Na-2H]- 145.02710 128.1
[M]+ 124.05188 120.2
[M]- 124.05298 120.2
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.