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

1020
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

patents stripe