CID 86127014

5-(5-methyl-2-furyl)-2,3-dihydro-1h-pyrrolizine

Structural Information

Molecular Formula
C12H13NO
SMILES
CC1=CC=C(O1)C2=CC=C3N2CCC3
InChI
InChI=1S/C12H13NO/c1-9-4-7-12(14-9)11-6-5-10-3-2-8-13(10)11/h4-7H,2-3,8H2,1H3
InChIKey
SEBQZNHXPWYZSW-UHFFFAOYSA-N
Compound name
5-(5-methylfuran-2-yl)-2,3-dihydro-1H-pyrrolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09972 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.106996 138.8
[M+Na]+ 210.088938 149.4
[M-H]- 186.092444 147.1
[M+NH4]+ 205.133543 162.6
[M+K]+ 226.062878 147.8
[M+H-H2O]+ 170.096980 133.9
[M+HCOO]- 232.097921 164.1
[M+CH3COO]- 246.113571 154.3
[M+Na-2H]- 208.074386 142.2
[M]+ 187.09917142 142.0
[M]- 187.10026858 142.0
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.