CID 8717

2,4,5-trimethylaniline

Structural Information

Molecular Formula
C9H13N
SMILES
CC1=CC(=C(C=C1C)N)C
InChI
InChI=1S/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3
InChIKey
BMIPMKQAAJKBKP-UHFFFAOYSA-N
Compound name
2,4,5-trimethylaniline
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

8
References

779
Patents

135.1048 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 127.0
[M+Na]+ 158.094018 136.5
[M-H]- 134.097524 131.2
[M+NH4]+ 153.138623 149.4
[M+K]+ 174.067958 134.3
[M+H-H2O]+ 118.102060 122.1
[M+HCOO]- 180.103001 152.0
[M+CH3COO]- 194.118651 178.9
[M+Na-2H]- 156.079466 132.5
[M]+ 135.10425142 126.4
[M]- 135.10534858 126.4
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