CID 10964417

1,3-dimethyl-1h-pyrrole

Structural Information

Molecular Formula
C6H9N
SMILES
CC1=CN(C=C1)C
InChI
InChI=1S/C6H9N/c1-6-3-4-7(2)5-6/h3-5H,1-2H3
InChIKey
CTWQGTOWGFCWNW-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1795
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 115.7
[M+Na]+ 118.06272 125.3
[M-H]- 94.066224 118.6
[M+NH4]+ 113.10732 140.1
[M+K]+ 134.03666 124.6
[M+H-H2O]+ 78.070760 110.4
[M+HCOO]- 140.07170 140.7
[M+CH3COO]- 154.08735 166.3
[M+Na-2H]- 116.04817 122.6
[M]+ 95.072951 116.2
[M]- 95.074049 116.2
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