CID 62371158

1-[3-(hydroxymethyl)pyrrolidin-1-yl]prop-2-en-1-one

Structural Information

Molecular Formula
C8H13NO2
SMILES
C=CC(=O)N1CCC(C1)CO
InChI
InChI=1S/C8H13NO2/c1-2-8(11)9-4-3-7(5-9)6-10/h2,7,10H,1,3-6H2
InChIKey
XETQKJFYJWBAHY-UHFFFAOYSA-N
Compound name
1-[3-(hydroxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

155.09464 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 134.7
[M+Na]+ 178.08386 141.2
[M-H]- 154.08736 135.2
[M+NH4]+ 173.12846 155.4
[M+K]+ 194.05780 139.6
[M+H-H2O]+ 138.09190 129.0
[M+HCOO]- 200.09284 154.4
[M+CH3COO]- 214.10849 172.7
[M+Na-2H]- 176.06931 136.7
[M]+ 155.09409 131.8
[M]- 155.09519 131.8
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

patents stripe