CID 94713

2-methyl-2-phenylpropanamide

Structural Information

Molecular Formula
C10H13NO
SMILES
CC(C)(C1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C10H13NO/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,11,12)
InChIKey
VKLQYTLWERZJEP-UHFFFAOYSA-N
Compound name
2-methyl-2-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

341
Patents

163.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 135.2
[M+Na]+ 186.088938 141.9
[M-H]- 162.092444 138.5
[M+NH4]+ 181.133543 155.4
[M+K]+ 202.062878 140.1
[M+H-H2O]+ 146.096980 129.8
[M+HCOO]- 208.097921 157.8
[M+CH3COO]- 222.113571 180.7
[M+Na-2H]- 184.074386 141.6
[M]+ 163.09917142 133.4
[M]- 163.10026858 133.4
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