CID 11475

3-ethylaniline

Structural Information

Molecular Formula
C8H11N
SMILES
CCC1=CC(=CC=C1)N
InChI
InChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3
InChIKey
AMKPQMFZCBTTAT-UHFFFAOYSA-N
Compound name
3-ethylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

4099
Patents

121.08915 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.09643 123.5
[M+Na]+ 144.07837 136.5
[M+NH4]+ 139.12297 133.3
[M+K]+ 160.05231 129.5
[M-H]- 120.08187 127.1
[M+Na-2H]- 142.06382 131.7
[M]+ 121.08860 126.4
[M]- 121.08970 126.4
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