CID 22621683

1-bromodec-4-yne

Structural Information

Molecular Formula

C₁₀H₁₇Br

SMILES

CCCCCC#CCCCBr

InChI

InChI=1S/C10H17Br/c1-2-3-4-5-6-7-8-9-10-11/h2-5,8-10H2,1H3

InChIKey

LZKPXVBLNTWIDQ-UHFFFAOYSA-N

Compound name

1-bromodec-4-yne

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 216.05136 Da
Monoisotopic Mass: 4.5
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]+	217.058636	137.5
[M+Na]+	239.040578	149.6
[M-H]-	215.044084	138.5
[M+NH4]+	234.085183	157.8
[M+K]+	255.014518	138.0
[M+H-H2O]+	199.048620	132.2
[M+HCOO]-	261.049561	155.0
[M+CH3COO]-	275.065211	194.4
[M+Na-2H]-	237.026026	143.6
[M]+	216.05081142	151.0
[M]-	216.05190858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe