CID 70484

2,3,4,5-tetramethylpyrrole

Structural Information

Molecular Formula
C8H13N
SMILES
CC1=C(NC(=C1C)C)C
InChI
InChI=1S/C8H13N/c1-5-6(2)8(4)9-7(5)3/h9H,1-4H3
InChIKey
BDXJANJAHYKTMI-UHFFFAOYSA-N
Compound name
2,3,4,5-tetramethyl-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1196
Patents

123.1048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.112076 124.6
[M+Na]+ 146.094018 134.9
[M-H]- 122.097524 126.5
[M+NH4]+ 141.138623 147.8
[M+K]+ 162.067958 132.6
[M+H-H2O]+ 106.102060 119.9
[M+HCOO]- 168.103001 147.5
[M+CH3COO]- 182.118651 171.8
[M+Na-2H]- 144.079466 128.6
[M]+ 123.10425142 124.7
[M]- 123.10534858 124.7
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