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]+ 148.07570 126.6
[M+Na]+ 170.05764 135.9
[M-H]- 146.06114 131.9
[M+NH4]+ 165.10224 148.0
[M+K]+ 186.03158 134.2
[M+H-H2O]+ 130.06568 120.6
[M+HCOO]- 192.06662 152.1
[M+CH3COO]- 206.08227 141.6
[M+Na-2H]- 168.04309 133.6
[M]+ 147.06787 127.7
[M]- 147.06897 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.