CID 3826198

1,2-dimethylpyrrole

Structural Information

Molecular Formula
C6H9N
SMILES
CC1=CC=CN1C
InChI
InChI=1S/C6H9N/c1-6-4-3-5-7(6)2/h3-5H,1-2H3
InChIKey
GNFLFHZJXXFDRA-UHFFFAOYSA-N
Compound name
1,2-dimethylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1072
Patents

95.0735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 116.8
[M+Na]+ 118.06272 129.6
[M+NH4]+ 113.10732 126.5
[M+K]+ 134.03666 124.9
[M-H]- 94.066224 118.7
[M+Na-2H]- 116.04817 123.9
[M]+ 95.072951 119.1
[M]- 95.074049 119.1
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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