CID 137075

2-ethylpyrrole

Structural Information

Molecular Formula
C6H9N
SMILES
CCC1=CC=CN1
InChI
InChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h3-5,7H,2H2,1H3
InChIKey
XRPDDDRNQJNHLQ-UHFFFAOYSA-N
Compound name
2-ethyl-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1248
Patents

95.0735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 117.8
[M+Na]+ 118.06272 129.6
[M+NH4]+ 113.10732 127.1
[M+K]+ 134.03666 125.0
[M-H]- 94.066224 119.0
[M+Na-2H]- 116.04817 124.4
[M]+ 95.072951 119.7
[M]- 95.074049 119.7
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

patents stripe