CID 35390

Butyramide, 2-ethyl-2-phenyl-

Structural Information

Molecular Formula
C12H17NO
SMILES
CCC(CC)(C1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C12H17NO/c1-3-12(4-2,11(13)14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,13,14)
InChIKey
GRRCDRIBJQKMEW-UHFFFAOYSA-N
Compound name
2-ethyl-2-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

237
Patents

191.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.9
[M+Na]+ 214.12023 155.6
[M+NH4]+ 209.16483 152.8
[M+K]+ 230.09417 149.9
[M-H]- 190.12373 146.7
[M+Na-2H]- 212.10568 151.1
[M]+ 191.13046 146.9
[M]- 191.13156 146.9
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