CID 121871

Medica 16

Structural Information

Molecular Formula
C20H38O4
SMILES
CC(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O
InChI
InChI=1S/C20H38O4/c1-19(2,15-17(21)22)13-11-9-7-5-6-8-10-12-14-20(3,4)16-18(23)24/h5-16H2,1-4H3,(H,21,22)(H,23,24)
InChIKey
HYSMCRNFENOHJH-UHFFFAOYSA-N
Compound name
3,3,14,14-tetramethylhexadecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

354
Patents

342.277 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.28428 188.9
[M+Na]+ 365.26622 193.3
[M+NH4]+ 360.31082 190.2
[M+K]+ 381.24016 190.0
[M-H]- 341.26972 183.5
[M+Na-2H]- 363.25167 186.4
[M]+ 342.27645 187.5
[M]- 342.27755 187.5
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