CID 176926

Nonadecanal

Structural Information

Molecular Formula

C₁₉H₃₈O

SMILES

CCCCCCCCCCCCCCCCCCC=O

InChI

InChI=1S/C19H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h19H,2-18H2,1H3

InChIKey

SXIYYZWCMUFWBW-UHFFFAOYSA-N

Compound name

nonadecanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3397
Patents: 282.29227 Da
Monoisotopic Mass: 8.7
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	179.4
[M+Na]+	305.281488	181.5
[M-H]-	281.284994	177.3
[M+NH4]+	300.326093	195.6
[M+K]+	321.255428	177.8
[M+H-H2O]+	265.289530	172.6
[M+HCOO]-	327.290471	199.3
[M+CH3COO]-	341.306121	207.6
[M+Na-2H]-	303.266936	179.6
[M]+	282.29172142	186.4
[M]-	282.29281858	186.4

Literature stripe

literature stripe

Patent stripe

patents stripe