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

53
Patents

177.15175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 141.9
[M+Na]+ 200.14097 147.9
[M-H]- 176.14447 145.3
[M+NH4]+ 195.18557 162.1
[M+K]+ 216.11491 145.7
[M+H-H2O]+ 160.14901 135.8
[M+HCOO]- 222.14995 165.5
[M+CH3COO]- 236.16560 187.2
[M+Na-2H]- 198.12642 146.9
[M]+ 177.15120 141.9
[M]- 177.15230 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