CID 5364688

60609-53-2

Structural Information

Molecular Formula

C₁₇H₃₂O

SMILES

CCC(C)CCCC/C=C\CCCCCCC=O

InChI

InChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3/b7-5-

InChIKey

HSGUJTMCFWXGAP-ALCCZGGFSA-N

Compound name

(Z)-14-methylhexadec-8-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 254
Patents: 252.24532 Da
Monoisotopic Mass: 6.4
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]+	253.25260	169.8
[M+Na]+	275.23454	172.9
[M-H]-	251.23804	168.2
[M+NH4]+	270.27914	187.1
[M+K]+	291.20848	169.5
[M+H-H2O]+	235.24258	163.6
[M+HCOO]-	297.24352	189.6
[M+CH3COO]-	311.25917	200.8
[M+Na-2H]-	273.21999	169.8
[M]+	252.24477	174.6
[M]-	252.24587	174.6

Literature stripe

literature stripe

Patent stripe

patents stripe