CID 172429296

Pyrrolizixenacetamide

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC(=O)NC1=CC(=O)C2N1CCC2
InChI
InChI=1S/C9H12N2O2/c1-6(12)10-9-5-8(13)7-3-2-4-11(7)9/h5,7H,2-4H2,1H3,(H,10,12)
InChIKey
UQNAZGGHUFJFMY-UHFFFAOYSA-N
Compound name
N-(1-oxo-5,6,7,8-tetrahydropyrrolizin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 138.8
[M+Na]+ 203.079088 146.5
[M-H]- 179.082594 142.2
[M+NH4]+ 198.123693 161.8
[M+K]+ 219.053028 144.9
[M+H-H2O]+ 163.087130 133.1
[M+HCOO]- 225.088071 161.3
[M+CH3COO]- 239.103721 182.1
[M+Na-2H]- 201.064536 141.1
[M]+ 180.08932142 137.4
[M]- 180.09041858 137.4
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

No patent data available for this compound.