CID 519871

2,4,6-tri(propan-2-yl)aniline

Structural Information

Molecular Formula
C15H25N
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)N)C(C)C
InChI
InChI=1S/C15H25N/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,16H2,1-6H3
InChIKey
FQFPALKHIHTSNY-UHFFFAOYSA-N
Compound name
2,4,6-tri(propan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

181
Patents

219.1987 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.20598 155.2
[M+Na]+ 242.18792 161.4
[M-H]- 218.19142 158.6
[M+NH4]+ 237.23252 174.0
[M+K]+ 258.16186 159.2
[M+H-H2O]+ 202.19596 149.4
[M+HCOO]- 264.19690 175.2
[M+CH3COO]- 278.21255 199.8
[M+Na-2H]- 240.17337 153.6
[M]+ 219.19815 154.8
[M]- 219.19925 154.8
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