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]+ 223.13288 151.6
[M+Na]+ 245.11482 158.4
[M-H]- 221.11832 151.5
[M+NH4]+ 240.15942 168.5
[M+K]+ 261.08876 154.9
[M+H-H2O]+ 205.12286 147.0
[M+HCOO]- 267.12380 168.6
[M+CH3COO]- 281.13945 183.2
[M+Na-2H]- 243.10027 154.4
[M]+ 222.12505 150.5
[M]- 222.12615 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