CID 86127308

9fmv6a0fpp

Structural Information

Molecular Formula
C10H11NO
SMILES
C=CC(=O)C1=CC=C2N1CCC2
InChI
InChI=1S/C10H11NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h2,5-6H,1,3-4,7H2
InChIKey
WDGGKRGJJOBJCZ-UHFFFAOYSA-N
Compound name
1-(6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 135.8
[M+Na]+ 184.07328 144.2
[M-H]- 160.07678 139.1
[M+NH4]+ 179.11788 159.8
[M+K]+ 200.04722 141.8
[M+H-H2O]+ 144.08132 130.2
[M+HCOO]- 206.08226 158.3
[M+CH3COO]- 220.09791 177.4
[M+Na-2H]- 182.05873 138.6
[M]+ 161.08351 135.2
[M]- 161.08461 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.