CID 98042

7149-28-2

Structural Information

Molecular Formula
C17H22O3
SMILES
CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1O)C
InChI
InChI=1S/C17H22O3/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11,18H,1,8,12H2,2-4H3
InChIKey
WESZRZFUMXBTNU-UHFFFAOYSA-N
Compound name
3,7-dimethylocta-1,6-dien-3-yl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

274.1569 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.16418 166.9
[M+Na]+ 297.14612 176.8
[M+NH4]+ 292.19072 172.5
[M+K]+ 313.12006 171.6
[M-H]- 273.14962 166.2
[M+Na-2H]- 295.13157 170.3
[M]+ 274.15635 167.9
[M]- 274.15745 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe