CID 185226

N-ethylpyrrole

Structural Information

Molecular Formula
C6H9N
SMILES
CCN1C=CC=C1
InChI
InChI=1S/C6H9N/c1-2-7-5-3-4-6-7/h3-6H,2H2,1H3
InChIKey
VPUAYOJTHRDUTK-UHFFFAOYSA-N
Compound name
1-ethylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4873
Patents

95.0735 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 116.4
[M+Na]+ 118.06272 125.1
[M-H]- 94.066224 118.9
[M+NH4]+ 113.10732 140.4
[M+K]+ 134.03666 124.4
[M+H-H2O]+ 78.070760 110.8
[M+HCOO]- 140.07170 141.4
[M+CH3COO]- 154.08735 165.2
[M+Na-2H]- 116.04817 124.0
[M]+ 95.072951 116.5
[M]- 95.074049 116.5
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

patents stripe