CID 28479385

4-ethyl-n-(2-methylpropyl)aniline

Structural Information

Molecular Formula
C12H19N
SMILES
CCC1=CC=C(C=C1)NCC(C)C
InChI
InChI=1S/C12H19N/c1-4-11-5-7-12(8-6-11)13-9-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKey
LABMSHZWRXZHSW-UHFFFAOYSA-N
Compound name
4-ethyl-N-(2-methylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

177.15175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 141.9
[M+Na]+ 200.140968 147.9
[M-H]- 176.144474 145.3
[M+NH4]+ 195.185573 162.1
[M+K]+ 216.114908 145.7
[M+H-H2O]+ 160.149010 135.8
[M+HCOO]- 222.149951 165.5
[M+CH3COO]- 236.165601 187.2
[M+Na-2H]- 198.126416 146.9
[M]+ 177.15120142 141.9
[M]- 177.15229858 141.9
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

patents stripe