CID 14363437

3-(2-furanylmethyl)-1h-pyrrole

Structural Information

Molecular Formula
C9H9NO
SMILES
C1=COC(=C1)CC2=CNC=C2
InChI
InChI=1S/C9H9NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h1-5,7,10H,6H2
InChIKey
JDTQSHKXSIWHGV-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethyl)-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.06842 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 126.6
[M+Na]+ 170.057638 135.9
[M-H]- 146.061144 131.9
[M+NH4]+ 165.102243 148.0
[M+K]+ 186.031578 134.2
[M+H-H2O]+ 130.065680 120.6
[M+HCOO]- 192.066621 152.1
[M+CH3COO]- 206.082271 141.6
[M+Na-2H]- 168.043086 133.6
[M]+ 147.06787142 127.7
[M]- 147.06896858 127.7
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.