CID 522571

2-tert-butyl-n-ethylaniline

Structural Information

Molecular Formula
C12H19N
SMILES
CCNC1=CC=CC=C1C(C)(C)C
InChI
InChI=1S/C12H19N/c1-5-13-11-9-7-6-8-10(11)12(2,3)4/h6-9,13H,5H2,1-4H3
InChIKey
FFEJLRPCIUMIBB-UHFFFAOYSA-N
Compound name
2-tert-butyl-N-ethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

177.15175 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 142.3
[M+Na]+ 200.14097 154.5
[M+NH4]+ 195.18557 151.4
[M+K]+ 216.11491 147.5
[M-H]- 176.14447 145.3
[M+Na-2H]- 198.12642 149.7
[M]+ 177.15120 145.0
[M]- 177.15230 145.0
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