CID 6446800

8dw74ne7uu

Structural Information

Molecular Formula
C13H18O3
SMILES
CC(C)(C)C(/C=C/C1=CC(=C(C=C1)O)O)O
InChI
InChI=1S/C13H18O3/c1-13(2,3)12(16)7-5-9-4-6-10(14)11(15)8-9/h4-8,12,14-16H,1-3H3/b7-5+
InChIKey
BUCYIZKIFHMFOW-FNORWQNLSA-N
Compound name
4-[(E)-3-hydroxy-4,4-dimethylpent-1-enyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.1256 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.132876 151.6
[M+Na]+ 245.114818 158.4
[M-H]- 221.118324 151.5
[M+NH4]+ 240.159423 168.5
[M+K]+ 261.088758 154.9
[M+H-H2O]+ 205.122860 147.0
[M+HCOO]- 267.123801 168.6
[M+CH3COO]- 281.139451 183.2
[M+Na-2H]- 243.100266 154.4
[M]+ 222.12505142 150.5
[M]- 222.12614858 150.5
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

patents stripe