CID 7471

N,n-dimethyl-p-toluidine

Structural Information

Molecular Formula
C9H13N
SMILES
CC1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3
InChIKey
GYVGXEWAOAAJEU-UHFFFAOYSA-N
Compound name
N,N,4-trimethylaniline
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

98
References

32073
Patents

135.1048 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 127.1
[M+Na]+ 158.094018 134.8
[M-H]- 134.097524 132.5
[M+NH4]+ 153.138623 149.7
[M+K]+ 174.067958 134.3
[M+H-H2O]+ 118.102060 121.4
[M+HCOO]- 180.103001 153.2
[M+CH3COO]- 194.118651 180.9
[M+Na-2H]- 156.079466 134.3
[M]+ 135.10425142 127.9
[M]- 135.10534858 127.9
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