CID 6366451

Einecs 302-807-6

Structural Information

Molecular Formula
C19H28O3
SMILES
CC(=CCC/C(=C/COC(C(CC1=CC=CC=C1)O)O)/C)C
InChI
InChI=1S/C19H28O3/c1-15(2)8-7-9-16(3)12-13-22-19(21)18(20)14-17-10-5-4-6-11-17/h4-6,8,10-12,18-21H,7,9,13-14H2,1-3H3/b16-12+
InChIKey
UMLPGGUXQFSKHT-FOWTUZBSSA-N
Compound name
1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-phenylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.20386 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21114 179.4
[M+Na]+ 327.19308 181.2
[M-H]- 303.19658 178.6
[M+NH4]+ 322.23768 192.5
[M+K]+ 343.16702 177.5
[M+H-H2O]+ 287.20112 172.5
[M+HCOO]- 349.20206 194.6
[M+CH3COO]- 363.21771 202.7
[M+Na-2H]- 325.17853 176.2
[M]+ 304.20331 179.3
[M]- 304.20441 179.3
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.