CID 53480959

1,3-dihydroxypropan-2-yl (z)-tetradec-9-enoate

Structural Information

Molecular Formula
C17H32O4
SMILES
CCCC/C=C\CCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h5-6,16,18-19H,2-4,7-15H2,1H3/b6-5-
InChIKey
UETKPVCPWANBPE-WAYWQWQTSA-N
Compound name
1,3-dihydroxypropan-2-yl (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

300.23007 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.23735 180.1
[M+Na]+ 323.21929 182.1
[M-H]- 299.22279 175.7
[M+NH4]+ 318.26389 193.9
[M+K]+ 339.19323 178.8
[M+H-H2O]+ 283.22733 173.7
[M+HCOO]- 345.22827 196.7
[M+CH3COO]- 359.24392 201.4
[M+Na-2H]- 321.20474 177.8
[M]+ 300.22952 184.7
[M]- 300.23062 184.7
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