CID 3084375

Triacontanal

Structural Information

Molecular Formula

C₃₀H₆₀O

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O

InChI

InChI=1S/C30H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h30H,2-29H2,1H3

InChIKey

CGNVIRPGBUXJES-UHFFFAOYSA-N

Compound name

triacontanal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 1195
Patents: 436.46442 Da
Monoisotopic Mass: 14.6
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]+	437.47170	227.1
[M+Na]+	459.45364	224.6
[M-H]-	435.45714	222.7
[M+NH4]+	454.49824	227.4
[M+K]+	475.42758	217.9
[M+H-H2O]+	419.46168	218.1
[M+HCOO]-	481.46262	242.7
[M+CH3COO]-	495.47827	239.9
[M+Na-2H]-	457.43909	221.5
[M]+	436.46387	238.3
[M]-	436.46497	238.3

Literature stripe

literature stripe

Patent stripe

patents stripe