CID 117105

3-decyn-1-ol, 10-chloro-

Structural Information

Molecular Formula

C₁₀H₁₇ClO

SMILES

C(CCCCl)CCC#CCCO

InChI

InChI=1S/C10H17ClO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-3,5,7-10H2

InChIKey

LWJWRDWOFZCMDJ-UHFFFAOYSA-N

Compound name

10-chlorodec-3-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 188.09679 Da
Monoisotopic Mass: 2.9
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]+	189.104066	139.2
[M+Na]+	211.086008	148.2
[M-H]-	187.089514	137.3
[M+NH4]+	206.130613	157.5
[M+K]+	227.059948	143.3
[M+H-H2O]+	171.094050	129.7
[M+HCOO]-	233.094991	151.4
[M+CH3COO]-	247.110641	187.8
[M+Na-2H]-	209.071456	143.3
[M]+	188.09624142	137.2
[M]-	188.09733858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe