CID 138529

5520-66-1

Structural Information

Molecular Formula
C12H17NO
SMILES
CCN(CC)C1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C12H17NO/c1-4-13(5-2)12-8-6-11(7-9-12)10(3)14/h6-9H,4-5H2,1-3H3
InChIKey
HMIBQFXWSUBFTG-UHFFFAOYSA-N
Compound name
1-[4-(diethylamino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3204
Patents

191.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.1
[M+Na]+ 214.12023 156.0
[M+NH4]+ 209.16483 152.6
[M+K]+ 230.09417 149.5
[M-H]- 190.12373 147.1
[M+Na-2H]- 212.10568 150.9
[M]+ 191.13046 146.5
[M]- 191.13156 146.5
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