CID 12333243

Hexahydro-1h-pyrrolizin-2-one hydrochloride

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CC2CC(=O)CN2C1
InChI
InChI=1S/C7H11NO/c9-7-4-6-2-1-3-8(6)5-7/h6H,1-5H2
InChIKey
SUDPHUUFVZFKBR-UHFFFAOYSA-N
Compound name
1,3,5,6,7,8-hexahydropyrrolizin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

125.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 126.4
[M+Na]+ 148.07328 135.6
[M+NH4]+ 143.11788 135.7
[M+K]+ 164.04722 133.5
[M-H]- 124.07678 127.0
[M+Na-2H]- 146.05873 129.3
[M]+ 125.08351 127.5
[M]- 125.08461 127.5
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