CID 19103319

1-[2-(hydroxymethyl)pyrrolidin-1-yl]prop-2-en-1-one

Structural Information

Molecular Formula
C8H13NO2
SMILES
C=CC(=O)N1CCCC1CO
InChI
InChI=1S/C8H13NO2/c1-2-8(11)9-5-3-4-7(9)6-10/h2,7,10H,1,3-6H2
InChIKey
CSEVAIDYVYTYEU-UHFFFAOYSA-N
Compound name
1-[2-(hydroxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

155.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 135.6
[M+Na]+ 178.08386 144.2
[M+NH4]+ 173.12846 142.5
[M+K]+ 194.05780 141.4
[M-H]- 154.08736 134.6
[M+Na-2H]- 176.06931 137.9
[M]+ 155.09409 136.0
[M]- 155.09519 136.0
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

patents stripe