CID 123929

Pristanic acid

Structural Information

Molecular Formula
C19H38O2
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)O
InChI
InChI=1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)
InChIKey
PAHGJZDQXIOYTH-UHFFFAOYSA-N
Compound name
2,6,10,14-tetramethylpentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

147
References

2717
Patents

298.28717 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.294446 185.0
[M+Na]+ 321.276388 185.7
[M-H]- 297.279894 181.8
[M+NH4]+ 316.320993 199.4
[M+K]+ 337.250328 183.8
[M+H-H2O]+ 281.284430 178.8
[M+HCOO]- 343.285371 198.7
[M+CH3COO]- 357.301021 210.8
[M+Na-2H]- 319.261836 178.3
[M]+ 298.28662142 188.2
[M]- 298.28771858 188.2
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