CID 117839

1-(4-(dimethylamino)phenyl)propan-1-one

Structural Information

Molecular Formula
C11H15NO
SMILES
CCC(=O)C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C11H15NO/c1-4-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3
InChIKey
ONCICIKBSHQJTB-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3027
Patents

177.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 138.8
[M+Na]+ 200.104588 145.6
[M-H]- 176.108094 143.9
[M+NH4]+ 195.149193 159.5
[M+K]+ 216.078528 145.0
[M+H-H2O]+ 160.112630 132.6
[M+HCOO]- 222.113571 163.7
[M+CH3COO]- 236.129221 188.8
[M+Na-2H]- 198.090036 143.6
[M]+ 177.11482142 140.4
[M]- 177.11591858 140.4
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