CID 189582

Hexahydro-1h-pyrrolizin-1-one

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CC2C(=O)CCN2C1
InChI
InChI=1S/C7H11NO/c9-7-3-5-8-4-1-2-6(7)8/h6H,1-5H2
InChIKey
WYOIGGSUICKDNZ-UHFFFAOYSA-N
Compound name
2,3,5,6,7,8-hexahydropyrrolizin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

752
Patents

125.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 126.3
[M+Na]+ 148.07328 133.9
[M-H]- 124.07678 129.1
[M+NH4]+ 143.11788 151.6
[M+K]+ 164.04722 132.8
[M+H-H2O]+ 108.08132 121.0
[M+HCOO]- 170.08226 147.6
[M+CH3COO]- 184.09791 169.3
[M+Na-2H]- 146.05873 129.8
[M]+ 125.08351 123.0
[M]- 125.08461 123.0
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