CID 25210293

3-(2-hydroxy-2-methylpropyl)benzene-1,2-diol

Structural Information

Molecular Formula
C10H14O3
SMILES
CC(C)(CC1=C(C(=CC=C1)O)O)O
InChI
InChI=1S/C10H14O3/c1-10(2,13)6-7-4-3-5-8(11)9(7)12/h3-5,11-13H,6H2,1-2H3
InChIKey
YQXXRXLETZYUKJ-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-2-methylpropyl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

182.0943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 139.0
[M+Na]+ 205.08352 146.9
[M-H]- 181.08702 139.2
[M+NH4]+ 200.12812 157.5
[M+K]+ 221.05746 144.2
[M+H-H2O]+ 165.09156 134.7
[M+HCOO]- 227.09250 157.8
[M+CH3COO]- 241.10815 175.4
[M+Na-2H]- 203.06897 144.6
[M]+ 182.09375 138.3
[M]- 182.09485 138.3
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

No patent data available for this compound.