CID 15037

1-furfurylpyrrole

Structural Information

Molecular Formula
C9H9NO
SMILES
C1=CN(C=C1)CC2=CC=CO2
InChI
InChI=1S/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2
InChIKey
BTBFUBUCCJKJOZ-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

379
Patents

147.06842 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 126.0
[M+Na]+ 170.057638 135.8
[M-H]- 146.061144 132.8
[M+NH4]+ 165.102243 148.2
[M+K]+ 186.031578 135.1
[M+H-H2O]+ 130.065680 119.9
[M+HCOO]- 192.066621 153.1
[M+CH3COO]- 206.082271 141.8
[M+Na-2H]- 168.043086 133.5
[M]+ 147.06787142 129.0
[M]- 147.06896858 129.0
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

patents stripe