CID 19018285

1,16-heptadecadien-3-one

Structural Information

Molecular Formula

C₁₇H₃₂O

SMILES

CCC(=O)CCCCCCCCCCCCC=C

InChI

InChI=1S/C17H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3H,1,4-16H2,2H3

InChIKey

BJUAHDDPXUJMLE-UHFFFAOYSA-N

Compound name

heptadec-16-en-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 252.24532 Da
Monoisotopic Mass: 6.7
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]+	253.25260	169.5
[M+Na]+	275.23454	172.6
[M-H]-	251.23804	167.9
[M+NH4]+	270.27914	186.8
[M+K]+	291.20848	169.2
[M+H-H2O]+	235.24258	163.3
[M+HCOO]-	297.24352	189.4
[M+CH3COO]-	311.25917	201.5
[M+Na-2H]-	273.21999	169.5
[M]+	252.24477	174.5
[M]-	252.24587	174.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe