CID 11266523

Cardanol

Structural Information

Molecular Formula
C21H30O
SMILES
C=CC/C=C\C/C=C\CCCCCCCC1=CC(=CC=C1)O
InChI
InChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h2,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2/b5-4-,8-7-
InChIKey
JOLVYUIAMRUBRK-UTOQUPLUSA-N
Compound name
3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

80
References

9372
Patents

298.22968 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.23696 178.1
[M+Na]+ 321.21890 182.0
[M-H]- 297.22240 178.5
[M+NH4]+ 316.26350 192.9
[M+K]+ 337.19284 174.8
[M+H-H2O]+ 281.22694 170.9
[M+HCOO]- 343.22788 198.0
[M+CH3COO]- 357.24353 204.3
[M+Na-2H]- 319.20435 178.7
[M]+ 298.22913 180.1
[M]- 298.23023 180.1
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