CID 136604

N,2,6-trimethylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

562
Patents

135.1048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 126.8
[M+Na]+ 158.094018 135.4
[M-H]- 134.097524 131.2
[M+NH4]+ 153.138623 149.2
[M+K]+ 174.067958 133.5
[M+H-H2O]+ 118.102060 121.6
[M+HCOO]- 180.103001 152.5
[M+CH3COO]- 194.118651 178.4
[M+Na-2H]- 156.079466 134.1
[M]+ 135.10425142 126.8
[M]- 135.10534858 126.8
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