CID 25177375

Schembl2385809

Structural Information

Molecular Formula
C26H42O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCC1=CC=C(C=C1)O
InChI
InChI=1S/C26H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28)29-23-22-24-18-20-25(27)21-19-24/h9-10,18-21,27H,2-8,11-17,22-23H2,1H3/b10-9-
InChIKey
NEDFFPHPQFWCRE-KTKRTIGZSA-N
Compound name
2-(4-hydroxyphenyl)ethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

402.3134 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.32068 209.0
[M+Na]+ 425.30262 209.8
[M-H]- 401.30612 208.3
[M+NH4]+ 420.34722 219.2
[M+K]+ 441.27656 203.7
[M+H-H2O]+ 385.31066 200.2
[M+HCOO]- 447.31160 226.3
[M+CH3COO]- 461.32725 224.5
[M+Na-2H]- 423.28807 205.6
[M]+ 402.31285 215.6
[M]- 402.31395 215.6
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

patents stripe