CID 86127310

1-(2,3-dihydro-6-methyl-1h-pyrrolizin-5-yl)-1,4-pentanedione

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC1=C(N2CCCC2=C1)C(=O)CCC(=O)C
InChI
InChI=1S/C13H17NO2/c1-9-8-11-4-3-7-14(11)13(9)12(16)6-5-10(2)15/h8H,3-7H2,1-2H3
InChIKey
NLJUZIDVCBWHAK-UHFFFAOYSA-N
Compound name
1-(2-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)pentane-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.5
[M+Na]+ 242.11515 160.5
[M+NH4]+ 237.15975 158.9
[M+K]+ 258.08909 159.0
[M-H]- 218.11865 151.2
[M+Na-2H]- 240.10060 153.3
[M]+ 219.12538 152.3
[M]- 219.12648 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.