CID 181174

Pentacosanal

Structural Information

Molecular Formula

C₂₅H₅₀O

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC=O

InChI

InChI=1S/C25H50O/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/h25H,2-24H2,1H3

InChIKey

HAGKFWXVDSAFHB-UHFFFAOYSA-N

Compound name

pentacosanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 592
Patents: 366.38617 Da
Monoisotopic Mass: 11.9
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]+	367.39345	205.8
[M+Na]+	389.37539	205.4
[M-H]-	365.37889	202.4
[M+NH4]+	384.41999	218.5
[M+K]+	405.34933	200.0
[M+H-H2O]+	349.38343	197.7
[M+HCOO]-	411.38437	223.7
[M+CH3COO]-	425.40002	225.4
[M+Na-2H]-	387.36084	202.7
[M]+	366.38562	215.1
[M]-	366.38672	215.1

Literature stripe

literature stripe

Patent stripe

patents stripe