CID 7949

3,5-dimethylaniline

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

31
References

5978
Patents

121.08915 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.09643 122.8
[M+Na]+ 144.07837 131.8
[M-H]- 120.08187 126.9
[M+NH4]+ 139.12297 145.4
[M+K]+ 160.05231 129.9
[M+H-H2O]+ 104.08641 117.9
[M+HCOO]- 166.08735 148.2
[M+CH3COO]- 180.10300 174.6
[M+Na-2H]- 142.06382 129.6
[M]+ 121.08860 121.4
[M]- 121.08970 121.4
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