CID 111752

Monostearyl succinate

Structural Information

Molecular Formula
C22H42O4
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)O
InChI
InChI=1S/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24/h2-20H2,1H3,(H,23,24)
InChIKey
NNFVBMSZYDDWSM-UHFFFAOYSA-N
Compound name
4-octadecoxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

370.30832 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.31560 199.1
[M+Na]+ 393.29754 204.4
[M+NH4]+ 388.34214 208.2
[M+K]+ 409.27148 197.5
[M-H]- 369.30104 195.5
[M+Na-2H]- 391.28299 196.7
[M]+ 370.30777 198.3
[M]- 370.30887 198.3
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