CID 69675

N,3-dimethylaniline

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1744
Patents

121.08915 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.09643 122.6
[M+Na]+ 144.07837 130.6
[M-H]- 120.08187 126.8
[M+NH4]+ 139.12297 145.2
[M+K]+ 160.05231 129.0
[M+H-H2O]+ 104.08641 117.4
[M+HCOO]- 166.08735 148.6
[M+CH3COO]- 180.10300 174.2
[M+Na-2H]- 142.06382 131.2
[M]+ 121.08860 121.9
[M]- 121.08970 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