CID 69452

2,4-dimethylbenzene-1,3-diol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1477
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 125.7
[M+Na]+ 161.05730 139.1
[M+NH4]+ 156.10190 134.4
[M+K]+ 177.03124 133.5
[M-H]- 137.06080 127.4
[M+Na-2H]- 159.04275 132.1
[M]+ 138.06753 128.1
[M]- 138.06863 128.1
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