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]+ 154.08626 130.7
[M+Na]+ 176.06820 140.0
[M-H]- 152.07170 131.3
[M+NH4]+ 171.11280 149.7
[M+K]+ 192.04214 137.7
[M+H-H2O]+ 136.07624 118.6
[M+HCOO]- 198.07718 146.3
[M+CH3COO]- 212.09283 183.4
[M+Na-2H]- 174.05365 132.8
[M]+ 153.07843 124.5
[M]- 153.07953 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.