CID 648465

247225-33-8

Structural Information

Molecular Formula
C12H14N2
SMILES
CC1=CC=C(N1C2=CC=CC(=C2)N)C
InChI
InChI=1S/C12H14N2/c1-9-6-7-10(2)14(9)12-5-3-4-11(13)8-12/h3-8H,13H2,1-2H3
InChIKey
PFZUTDHSWLXVSZ-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylpyrrol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

186.11569 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 140.4
[M+Na]+ 209.10491 149.9
[M-H]- 185.10841 146.3
[M+NH4]+ 204.14951 160.7
[M+K]+ 225.07885 146.1
[M+H-H2O]+ 169.11295 133.4
[M+HCOO]- 231.11389 165.4
[M+CH3COO]- 245.12954 186.1
[M+Na-2H]- 207.09036 144.3
[M]+ 186.11514 139.6
[M]- 186.11624 139.6
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