CID 6437054

5-decen-1-yne, (5e)-

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CCCC/C=C/CCC#C

InChI

InChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h1,9-10H,4-8H2,2H3/b10-9+

InChIKey

LZIAORKGKKMTSM-MDZDMXLPSA-N

Compound name

(E)-dec-5-en-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 136.1252 Da
Monoisotopic Mass: 3.7
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]+	137.132476	129.5
[M+Na]+	159.114418	138.3
[M-H]-	135.117924	129.1
[M+NH4]+	154.159023	149.5
[M+K]+	175.088358	135.3
[M+H-H2O]+	119.122460	119.2
[M+HCOO]-	181.123401	147.0
[M+CH3COO]-	195.139051	185.0
[M+Na-2H]-	157.099866	134.5
[M]+	136.12465142	125.9
[M]-	136.12574858	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe