CID 132343803

1-(3-methoxypyrrolidin-1-yl)prop-2-yn-1-one

Structural Information

Molecular Formula
C8H11NO2
SMILES
COC1CCN(C1)C(=O)C#C
InChI
InChI=1S/C8H11NO2/c1-3-8(10)9-5-4-7(6-9)11-2/h1,7H,4-6H2,2H3
InChIKey
ZQTISPQOYDLWKQ-UHFFFAOYSA-N
Compound name
1-(3-methoxypyrrolidin-1-yl)prop-2-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 130.7
[M+Na]+ 176.068198 140.0
[M-H]- 152.071704 131.3
[M+NH4]+ 171.112803 149.7
[M+K]+ 192.042138 137.7
[M+H-H2O]+ 136.076240 118.6
[M+HCOO]- 198.077181 146.3
[M+CH3COO]- 212.092831 183.4
[M+Na-2H]- 174.053646 132.8
[M]+ 153.07843142 124.5
[M]- 153.07952858 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.