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]+ 188.10700 138.8
[M+Na]+ 210.08894 149.4
[M-H]- 186.09244 147.1
[M+NH4]+ 205.13354 162.6
[M+K]+ 226.06288 147.8
[M+H-H2O]+ 170.09698 133.9
[M+HCOO]- 232.09792 164.1
[M+CH3COO]- 246.11357 154.3
[M+Na-2H]- 208.07439 142.2
[M]+ 187.09917 142.0
[M]- 187.10027 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.