CID 7248

3,4-dimethylaniline

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

32
References

5395
Patents

121.08915 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.096426 122.8
[M+Na]+ 144.078368 131.8
[M-H]- 120.081874 126.9
[M+NH4]+ 139.122973 145.4
[M+K]+ 160.052308 129.9
[M+H-H2O]+ 104.086410 117.9
[M+HCOO]- 166.087351 148.2
[M+CH3COO]- 180.103001 174.6
[M+Na-2H]- 142.063816 129.6
[M]+ 121.08860142 121.4
[M]- 121.08969858 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