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

2211
Patents

191.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.5
[M+Na]+ 214.120228 149.9
[M-H]- 190.123734 148.5
[M+NH4]+ 209.164833 163.7
[M+K]+ 230.094168 149.1
[M+H-H2O]+ 174.128270 137.1
[M+HCOO]- 236.129211 168.1
[M+CH3COO]- 250.144861 191.9
[M+Na-2H]- 212.105676 147.8
[M]+ 191.13046142 145.6
[M]- 191.13155858 145.6
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