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

11
Patents

125.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 126.3
[M+Na]+ 148.073278 133.9
[M-H]- 124.076784 129.1
[M+NH4]+ 143.117883 151.6
[M+K]+ 164.047218 132.8
[M+H-H2O]+ 108.081320 121.0
[M+HCOO]- 170.082261 147.6
[M+CH3COO]- 184.097911 169.3
[M+Na-2H]- 146.058726 129.8
[M]+ 125.08351142 123.0
[M]- 125.08460858 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