CID 526559

5-acetyl-2,3-dihydro-1h-pyrrolizine

Structural Information

Molecular Formula
C9H11NO
SMILES
CC(=O)C1=CC=C2N1CCC2
InChI
InChI=1S/C9H11NO/c1-7(11)9-5-4-8-3-2-6-10(8)9/h4-5H,2-3,6H2,1H3
InChIKey
NWSCEJHRUVCUSX-UHFFFAOYSA-N
Compound name
1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

149.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 132.1
[M+Na]+ 172.073278 140.7
[M-H]- 148.076784 135.6
[M+NH4]+ 167.117883 156.7
[M+K]+ 188.047218 139.1
[M+H-H2O]+ 132.081320 126.7
[M+HCOO]- 194.082261 154.8
[M+CH3COO]- 208.097911 175.3
[M+Na-2H]- 170.058726 135.4
[M]+ 149.08351142 131.9
[M]- 149.08460858 131.9
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