CID 43794768

4-mdmc

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1=CC=C(C=C1)C(=O)C(C)N(C)C
InChI
InChI=1S/C12H17NO/c1-9-5-7-11(8-6-9)12(14)10(2)13(3)4/h5-8,10H,1-4H3
InChIKey
FXLSIGLYVVJURY-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

191.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.5
[M+Na]+ 214.120228 149.6
[M-H]- 190.123734 148.5
[M+NH4]+ 209.164833 163.5
[M+K]+ 230.094168 149.3
[M+H-H2O]+ 174.128270 137.2
[M+HCOO]- 236.129211 167.0
[M+CH3COO]- 250.144861 192.8
[M+Na-2H]- 212.105676 146.5
[M]+ 191.13046142 144.9
[M]- 191.13155858 144.9
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.