CID 203242

4-(3-pyrrolin-1-yl)-2-butyn-1-ol acetate

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC(=O)OCC#CCN1CC=CC1
InChI
InChI=1S/C10H13NO2/c1-10(12)13-9-5-4-8-11-6-2-3-7-11/h2-3H,6-9H2,1H3
InChIKey
KXGQQUDGEWWPLZ-UHFFFAOYSA-N
Compound name
4-(2,5-dihydropyrrol-1-yl)but-2-ynyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 140.8
[M+Na]+ 202.08386 150.4
[M+NH4]+ 197.12846 144.5
[M+K]+ 218.05780 143.4
[M-H]- 178.08736 132.7
[M+Na-2H]- 200.06931 141.9
[M]+ 179.09409 138.8
[M]- 179.09519 138.8
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.