CID 13757844

2-(2,4,6-trimethylphenyl)aniline

Structural Information

Molecular Formula
C15H17N
SMILES
CC1=CC(=C(C(=C1)C)C2=CC=CC=C2N)C
InChI
InChI=1S/C15H17N/c1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14(13)16/h4-9H,16H2,1-3H3
InChIKey
DUMUZNITRKJEPV-UHFFFAOYSA-N
Compound name
2-(2,4,6-trimethylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

211.1361 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.14338 147.9
[M+Na]+ 234.12532 157.2
[M-H]- 210.12882 155.2
[M+NH4]+ 229.16992 167.1
[M+K]+ 250.09926 152.8
[M+H-H2O]+ 194.13336 141.2
[M+HCOO]- 256.13430 172.5
[M+CH3COO]- 270.14995 193.8
[M+Na-2H]- 232.11077 152.0
[M]+ 211.13555 147.3
[M]- 211.13665 147.3
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