CID 6429430

4-ethenyl-n,n-diethylaniline

Structural Information

Molecular Formula
C12H17N
SMILES
CCN(CC)C1=CC=C(C=C1)C=C
InChI
InChI=1S/C12H17N/c1-4-11-7-9-12(10-8-11)13(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3
InChIKey
CBZMQWPBAUBAPO-UHFFFAOYSA-N
Compound name
4-ethenyl-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1275
Patents

175.1361 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 139.8
[M+Na]+ 198.12532 146.5
[M-H]- 174.12882 144.7
[M+NH4]+ 193.16992 160.7
[M+K]+ 214.09926 144.7
[M+H-H2O]+ 158.13336 133.5
[M+HCOO]- 220.13430 165.2
[M+CH3COO]- 234.14995 189.1
[M+Na-2H]- 196.11077 145.4
[M]+ 175.13555 141.0
[M]- 175.13665 141.0
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