CID 151503

4,8,12-trimethyltridecanoic acid

Structural Information

Molecular Formula
C16H32O2
SMILES
CC(C)CCCC(C)CCCC(C)CCC(=O)O
InChI
InChI=1S/C16H32O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h13-15H,5-12H2,1-4H3,(H,17,18)
InChIKey
FUYCAQNCWDAOLQ-UHFFFAOYSA-N
Compound name
4,8,12-trimethyltridecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

347
Patents

256.24023 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.24751 168.7
[M+Na]+ 279.22945 175.4
[M+NH4]+ 274.27405 174.1
[M+K]+ 295.20339 170.6
[M-H]- 255.23295 166.3
[M+Na-2H]- 277.21490 168.1
[M]+ 256.23968 168.5
[M]- 256.24078 168.5
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