CID 7250

2,4-dimethylaniline

Structural Information

Molecular Formula
C8H11N
SMILES
CC1=CC(=C(C=C1)N)C
InChI
InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
InChIKey
CZZZABOKJQXEBO-UHFFFAOYSA-N
Compound name
2,4-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

89
References

8893
Patents

121.08915 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.09643 123.1
[M+Na]+ 144.07837 136.6
[M+NH4]+ 139.12297 132.9
[M+K]+ 160.05231 129.7
[M-H]- 120.08187 126.9
[M+Na-2H]- 142.06382 131.1
[M]+ 121.08860 126.1
[M]- 121.08970 126.1
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

patents stripe