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

165
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.