CID 7670

N-ethylaniline

Structural Information

Molecular Formula
C8H11N
SMILES
CCNC1=CC=CC=C1
InChI
InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKey
OJGMBLNIHDZDGS-UHFFFAOYSA-N
Compound name
N-ethylaniline
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

30
References

36593
Patents

121.08915 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.09643 123.0
[M+Na]+ 144.07837 130.0
[M-H]- 120.08187 126.7
[M+NH4]+ 139.12297 145.2
[M+K]+ 160.05231 128.4
[M+H-H2O]+ 104.08641 117.5
[M+HCOO]- 166.08735 149.0
[M+CH3COO]- 180.10300 173.2
[M+Na-2H]- 142.06382 132.2
[M]+ 121.08860 121.8
[M]- 121.08970 121.8
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