CID 141274

1-heptadecyne

Structural Information

Molecular Formula

C₁₇H₃₂

SMILES

CCCCCCCCCCCCCCCC#C

InChI

InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h1H,4-17H2,2H3

InChIKey

DQDNKQWGBZFFRA-UHFFFAOYSA-N

Compound name

heptadec-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 848
Patents: 236.2504 Da
Monoisotopic Mass: 8.4
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]+	237.25768	159.6
[M+Na]+	259.23962	169.2
[M+NH4]+	254.28422	163.6
[M+K]+	275.21356	157.4
[M-H]-	235.24312	152.0
[M+Na-2H]-	257.22507	159.7
[M]+	236.24985	157.9
[M]-	236.25095	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe