CID 199266

3921-94-6

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CC(=O)OCC#CCN(C)C

InChI

InChI=1S/C8H13NO2/c1-8(10)11-7-5-4-6-9(2)3/h6-7H2,1-3H3

InChIKey

FLTGRCAASOHPRA-UHFFFAOYSA-N

Compound name

4-(dimethylamino)but-2-ynyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 155.09464 Da
Monoisotopic Mass: 0.2
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]+	156.10192	133.1
[M+Na]+	178.08386	141.4
[M-H]-	154.08736	133.9
[M+NH4]+	173.12846	152.3
[M+K]+	194.05780	141.6
[M+H-H2O]+	138.09190	121.8
[M+HCOO]-	200.09284	151.8
[M+CH3COO]-	214.10849	189.8
[M+Na-2H]-	176.06931	136.9
[M]+	155.09409	130.7
[M]-	155.09519	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe