CID 5364434

3-hydroxypropyl (e)-octadec-9-enoate

Structural Information

Molecular Formula
C21H40O3
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OCCCO
InChI
InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)24-20-17-19-22/h9-10,22H,2-8,11-20H2,1H3/b10-9+
InChIKey
YWBLIYFXWVRDAA-MDZDMXLPSA-N
Compound name
3-hydroxypropyl (E)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

340.29776 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.30504 192.4
[M+Na]+ 363.28698 198.7
[M+NH4]+ 358.33158 196.5
[M+K]+ 379.26092 190.7
[M-H]- 339.29048 189.6
[M+Na-2H]- 361.27243 191.0
[M]+ 340.29721 192.0
[M]- 340.29831 192.0
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