CID 182055

1-(pyrrolidin-1-yl)prop-2-en-1-one

Structural Information

Molecular Formula
C7H11NO
SMILES
C=CC(=O)N1CCCC1
InChI
InChI=1S/C7H11NO/c1-2-7(9)8-5-3-4-6-8/h2H,1,3-6H2
InChIKey
WLPAQAXAZQUXBG-UHFFFAOYSA-N
Compound name
1-pyrrolidin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7764
Patents

125.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 127.0
[M+Na]+ 148.07328 133.5
[M-H]- 124.07678 128.7
[M+NH4]+ 143.11788 149.4
[M+K]+ 164.04722 132.6
[M+H-H2O]+ 108.08132 121.1
[M+HCOO]- 170.08226 148.3
[M+CH3COO]- 184.09791 169.2
[M+Na-2H]- 146.05873 130.6
[M]+ 125.08351 123.8
[M]- 125.08461 123.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe