CID 86127015

1-(2,3-dihydro-6,7-dimethyl-1h-pyrrolizin-5-yl)-2-hydroxy-1-propanone

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC1=C2CCCN2C(=C1C)C(=O)C(C)O
InChI
InChI=1S/C12H17NO2/c1-7-8(2)11(12(15)9(3)14)13-6-4-5-10(7)13/h9,14H,4-6H2,1-3H3
InChIKey
ZCNNVEPQSPOCJM-UHFFFAOYSA-N
Compound name
1-(1,2-dimethyl-6,7-dihydro-5H-pyrrolizin-3-yl)-2-hydroxypropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 148.9
[M+Na]+ 230.11515 157.1
[M-H]- 206.11865 151.3
[M+NH4]+ 225.15975 170.9
[M+K]+ 246.08909 154.9
[M+H-H2O]+ 190.12319 144.0
[M+HCOO]- 252.12413 168.1
[M+CH3COO]- 266.13978 186.9
[M+Na-2H]- 228.10060 147.8
[M]+ 207.12538 149.4
[M]- 207.12648 149.4
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.