CID 69137

N,2-dimethylaniline

Structural Information

Molecular Formula
C8H11N
SMILES
CC1=CC=CC=C1NC
InChI
InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3
InChIKey
GUAWMXYQZKVRCW-UHFFFAOYSA-N
Compound name
N,2-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

4973
Patents

121.08915 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.096426 122.6
[M+Na]+ 144.078368 130.6
[M-H]- 120.081874 126.8
[M+NH4]+ 139.122973 145.2
[M+K]+ 160.052308 129.0
[M+H-H2O]+ 104.086410 117.4
[M+HCOO]- 166.087351 148.6
[M+CH3COO]- 180.103001 174.2
[M+Na-2H]- 142.063816 131.2
[M]+ 121.08860142 121.9
[M]- 121.08969858 121.9
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