CID 57357864

Succistearin

Structural Information

Molecular Formula
C21H42O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)C(C(C)O)O
InChI
InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)21(24)19(2)22/h19,21-22,24H,3-18H2,1-2H3
InChIKey
MNODTZVIGVNIGE-UHFFFAOYSA-N
Compound name
2,3-dihydroxyhenicosan-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

813
Patents

342.3134 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.32068 197.2
[M+Na]+ 365.30262 196.8
[M-H]- 341.30612 191.9
[M+NH4]+ 360.34722 209.1
[M+K]+ 381.27656 193.2
[M+H-H2O]+ 325.31066 190.2
[M+HCOO]- 387.31160 210.9
[M+CH3COO]- 401.32725 214.3
[M+Na-2H]- 363.28807 191.4
[M]+ 342.31285 201.9
[M]- 342.31395 201.9
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