CID 53480963

1,3-dihydroxypropan-2-yl (z)-icos-11-enoate

Structural Information

Molecular Formula
C23H44O4
SMILES
CCCCCCCC/C=C\CCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C23H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h9-10,22,24-25H,2-8,11-21H2,1H3/b10-9-
InChIKey
YRAZXZXQMMJRRV-KTKRTIGZSA-N
Compound name
1,3-dihydroxypropan-2-yl (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

384.32397 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.33125 206.5
[M+Na]+ 407.31319 205.9
[M-H]- 383.31669 200.9
[M+NH4]+ 402.35779 205.3
[M+K]+ 423.28713 201.2
[M+H-H2O]+ 367.32123 199.0
[M+HCOO]- 429.32217 215.1
[M+CH3COO]- 443.33782 219.1
[M+Na-2H]- 405.29864 201.2
[M]+ 384.32342 213.3
[M]- 384.32452 213.3
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