CID 20109534

5-(2,5-dimethyl-1h-pyrrol-1-yl)-2-methylaniline

Structural Information

Molecular Formula
C13H16N2
SMILES
CC1=C(C=C(C=C1)N2C(=CC=C2C)C)N
InChI
InChI=1S/C13H16N2/c1-9-4-7-12(8-13(9)14)15-10(2)5-6-11(15)3/h4-8H,14H2,1-3H3
InChIKey
MBMCDTHUOFTHRR-UHFFFAOYSA-N
Compound name
5-(2,5-dimethylpyrrol-1-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.13135 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 144.9
[M+Na]+ 223.120568 154.9
[M-H]- 199.124074 151.0
[M+NH4]+ 218.165173 165.0
[M+K]+ 239.094508 150.8
[M+H-H2O]+ 183.128610 138.0
[M+HCOO]- 245.129551 169.6
[M+CH3COO]- 259.145201 190.3
[M+Na-2H]- 221.106016 147.6
[M]+ 200.13080142 144.9
[M]- 200.13189858 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.