CID 21831845

5728-70-1

Structural Information

Molecular Formula
C14H15N
SMILES
CCC1=CC=C(C=C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H15N/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h3-10H,2,15H2,1H3
InChIKey
NMCSKBJWADPKPK-UHFFFAOYSA-N
Compound name
4-(4-ethylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

197.12045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12773 143.7
[M+Na]+ 220.10967 151.5
[M-H]- 196.11317 150.3
[M+NH4]+ 215.15427 162.8
[M+K]+ 236.08361 147.2
[M+H-H2O]+ 180.11771 136.8
[M+HCOO]- 242.11865 168.6
[M+CH3COO]- 256.13430 188.5
[M+Na-2H]- 218.09512 149.8
[M]+ 197.11990 141.9
[M]- 197.12100 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

literature stripe

Patent stripe

patents stripe