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

671
Patents

135.1048 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.11208 127.0
[M+Na]+ 158.09402 136.5
[M-H]- 134.09752 131.2
[M+NH4]+ 153.13862 149.4
[M+K]+ 174.06796 134.3
[M+H-H2O]+ 118.10206 122.1
[M+HCOO]- 180.10300 152.0
[M+CH3COO]- 194.11865 178.9
[M+Na-2H]- 156.07947 132.5
[M]+ 135.10425 126.4
[M]- 135.10535 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