CID 39539

2,4-dimethylpyrrole

Structural Information

Molecular Formula
C6H9N
SMILES
CC1=CC(=CN1)C
InChI
InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3
InChIKey
MFFMQGGZCLEMCI-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5019
Patents

95.0735 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 117.4
[M+Na]+ 118.06272 129.5
[M+NH4]+ 113.10732 126.6
[M+K]+ 134.03666 125.1
[M-H]- 94.066224 118.6
[M+Na-2H]- 116.04817 123.7
[M]+ 95.072951 119.3
[M]- 95.074049 119.3
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

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