CID 14671060

Pristanal

Structural Information

Molecular Formula
C19H38O
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)C=O
InChI
InChI=1S/C19H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-19H,6-14H2,1-5H3
InChIKey
IZJRIIWUSIGEAJ-UHFFFAOYSA-N
Compound name
2,6,10,14-tetramethylpentadecanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

25
Patents

282.29227 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.29955 178.4
[M+Na]+ 305.28149 185.6
[M+NH4]+ 300.32609 184.4
[M+K]+ 321.25543 179.3
[M-H]- 281.28499 177.0
[M+Na-2H]- 303.26694 178.2
[M]+ 282.29172 178.8
[M]- 282.29282 178.8
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