CID 6435300

74038-58-7

Structural Information

Molecular Formula
C15H19ClO3
SMILES
CC(C)(C)CC(/C=C/C1=C(C2=C(C=C1)OCO2)Cl)O
InChI
InChI=1S/C15H19ClO3/c1-15(2,3)8-11(17)6-4-10-5-7-12-14(13(10)16)19-9-18-12/h4-7,11,17H,8-9H2,1-3H3/b6-4+
InChIKey
IARNWHAWGIVNKL-GQCTYLIASA-N
Compound name
(E)-1-(4-chloro-1,3-benzodioxol-5-yl)-5,5-dimethylhex-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10226 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10954 167.0
[M+Na]+ 305.09148 175.0
[M-H]- 281.09498 171.3
[M+NH4]+ 300.13608 183.9
[M+K]+ 321.06542 172.2
[M+H-H2O]+ 265.09952 163.1
[M+HCOO]- 327.10046 179.0
[M+CH3COO]- 341.11611 196.0
[M+Na-2H]- 303.07693 170.7
[M]+ 282.10171 171.7
[M]- 282.10281 171.7
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

No patent data available for this compound.