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]+ 180.101916 139.5
[M+Na]+ 202.083858 148.2
[M-H]- 178.087364 139.6
[M+NH4]+ 197.128463 157.5
[M+K]+ 218.057798 145.2
[M+H-H2O]+ 162.091900 126.6
[M+HCOO]- 224.092841 155.7
[M+CH3COO]- 238.108491 186.2
[M+Na-2H]- 200.069306 141.9
[M]+ 179.09409142 134.6
[M]- 179.09518858 134.6
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.