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

2206
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 143.5
[M+Na]+ 214.12023 149.9
[M-H]- 190.12373 148.5
[M+NH4]+ 209.16483 163.7
[M+K]+ 230.09417 149.1
[M+H-H2O]+ 174.12827 137.1
[M+HCOO]- 236.12921 168.1
[M+CH3COO]- 250.14486 191.9
[M+Na-2H]- 212.10568 147.8
[M]+ 191.13046 145.6
[M]- 191.13156 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.