CID 600934

2-ethyl-2-(p-tolyl)malonamide

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CCC(C1=CC=C(C=C1)C)(C(=O)N)C(=O)N
InChI
InChI=1S/C12H16N2O2/c1-3-12(10(13)15,11(14)16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,13,15)(H2,14,16)
InChIKey
OUDOLYGETKWQIK-UHFFFAOYSA-N
Compound name
2-ethyl-2-(4-methylphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

220.12119 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.128466 150.5
[M+Na]+ 243.110408 156.2
[M-H]- 219.113914 153.2
[M+NH4]+ 238.155013 167.7
[M+K]+ 259.084348 154.2
[M+H-H2O]+ 203.118450 144.3
[M+HCOO]- 265.119391 172.1
[M+CH3COO]- 279.135041 194.6
[M+Na-2H]- 241.095856 153.1
[M]+ 220.12064142 148.0
[M]- 220.12173858 148.0
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