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]+ 150.091336 129.1
[M+Na]+ 172.073278 137.7
[M-H]- 148.076784 135.5
[M+NH4]+ 167.117883 151.3
[M+K]+ 188.047218 137.3
[M+H-H2O]+ 132.081320 123.1
[M+HCOO]- 194.082261 153.3
[M+CH3COO]- 208.097911 144.0
[M+Na-2H]- 170.058726 133.9
[M]+ 149.08351142 129.5
[M]- 149.08460858 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.