CID 6440454

72629-62-0

Structural Information

Molecular Formula
C20H32O2
SMILES
CCCC/C=C\CCCCCCCC1=CC(=C(C(=C1)O)C)O
InChI
InChI=1S/C20H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-15-19(21)17(2)20(22)16-18/h6-7,15-16,21-22H,3-5,8-14H2,1-2H3/b7-6-
InChIKey
AAFWHAONVYRTMW-SREVYHEPSA-N
Compound name
2-methyl-5-[(Z)-tridec-8-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.24023 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 179.1
[M+Na]+ 327.22945 184.0
[M-H]- 303.23295 178.9
[M+NH4]+ 322.27405 193.6
[M+K]+ 343.20339 178.1
[M+H-H2O]+ 287.23749 172.4
[M+HCOO]- 349.23843 197.6
[M+CH3COO]- 363.25408 205.3
[M+Na-2H]- 325.21490 178.3
[M]+ 304.23968 182.5
[M]- 304.24078 182.5
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

No patent data available for this compound.