CID 14979625

3,4,5-trimethylbenzene-1,2-diol

Structural Information

Molecular Formula
C9H12O2
SMILES
CC1=CC(=C(C(=C1C)C)O)O
InChI
InChI=1S/C9H12O2/c1-5-4-8(10)9(11)7(3)6(5)2/h4,10-11H,1-3H3
InChIKey
DEIKGXRMQUHZJD-UHFFFAOYSA-N
Compound name
3,4,5-trimethylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

152.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 129.0
[M+Na]+ 175.072938 139.3
[M-H]- 151.076444 131.4
[M+NH4]+ 170.117543 150.1
[M+K]+ 191.046878 136.8
[M+H-H2O]+ 135.080980 124.8
[M+HCOO]- 197.081921 151.0
[M+CH3COO]- 211.097571 174.8
[M+Na-2H]- 173.058386 133.6
[M]+ 152.08317142 129.7
[M]- 152.08426858 129.7
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