CID 85575719

3,4-dihydro-5-(5-methyl-2-furanyl)-2h-pyrrole

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC=C(O1)C2=NCCC2
InChI
InChI=1S/C9H11NO/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5H,2-3,6H2,1H3
InChIKey
FCHSRBDFHOMGQE-UHFFFAOYSA-N
Compound name
5-(5-methylfuran-2-yl)-3,4-dihydro-2H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 129.1
[M+Na]+ 172.07328 137.7
[M-H]- 148.07678 135.5
[M+NH4]+ 167.11788 151.3
[M+K]+ 188.04722 137.3
[M+H-H2O]+ 132.08132 123.1
[M+HCOO]- 194.08226 153.3
[M+CH3COO]- 208.09791 144.0
[M+Na-2H]- 170.05873 133.9
[M]+ 149.08351 129.5
[M]- 149.08461 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.