CID 59444496

Methyl 2-methylpent-4-ynoate

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CC(CC#C)C(=O)OC

InChI

InChI=1S/C7H10O2/c1-4-5-6(2)7(8)9-3/h1,6H,5H2,2-3H3

InChIKey

OLKZKTPKVOMJGQ-UHFFFAOYSA-N

Compound name

methyl 2-methylpent-4-ynoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 126.06808 Da
Monoisotopic Mass: 1.2
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]+	127.07536	124.9
[M+Na]+	149.05730	134.9
[M+NH4]+	144.10190	129.0
[M+K]+	165.03124	127.6
[M-H]-	125.06080	116.1
[M+Na-2H]-	147.04275	125.8
[M]+	126.06753	122.8
[M]-	126.06863	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe