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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	283.299546	181.3
[M+Na]+	305.281488	182.7
[M-H]-	281.284994	179.6
[M+NH4]+	300.326093	197.3
[M+K]+	321.255428	180.7
[M+H-H2O]+	265.289530	175.0
[M+HCOO]-	327.290471	197.3
[M+CH3COO]-	341.306121	210.7
[M+Na-2H]-	303.266936	176.4
[M]+	282.29172142	185.7
[M]-	282.29281858	185.7

Literature stripe

literature stripe

Patent stripe

patents stripe