CID 6446404

1-penten-3-ol, 1-(4-allyloxyphenyl)-4,4-dimethyl-

Structural Information

Molecular Formula
C16H22O2
SMILES
CC(C)(C)C(/C=C/C1=CC=C(C=C1)OCC=C)O
InChI
InChI=1S/C16H22O2/c1-5-12-18-14-9-6-13(7-10-14)8-11-15(17)16(2,3)4/h5-11,15,17H,1,12H2,2-4H3/b11-8+
InChIKey
SIKWVQBOTZAIEN-DHZHZOJOSA-N
Compound name
(E)-4,4-dimethyl-1-(4-prop-2-enoxyphenyl)pent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.16199 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.169266 160.2
[M+Na]+ 269.151208 166.1
[M-H]- 245.154714 162.0
[M+NH4]+ 264.195813 177.3
[M+K]+ 285.125148 162.4
[M+H-H2O]+ 229.159250 154.5
[M+HCOO]- 291.160191 179.3
[M+CH3COO]- 305.175841 193.1
[M+Na-2H]- 267.136656 163.1
[M]+ 246.16144142 161.5
[M]- 246.16253858 161.5
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

No patent data available for this compound.