CID 257232

2-cyano-2-phenylbutanamide

Structural Information

Molecular Formula
C11H12N2O
SMILES
CCC(C#N)(C1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C11H12N2O/c1-2-11(8-12,10(13)14)9-6-4-3-5-7-9/h3-7H,2H2,1H3,(H2,13,14)
InChIKey
QKSRTQXCXWMMLG-UHFFFAOYSA-N
Compound name
2-cyano-2-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1350
Patents

188.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 148.4
[M+Na]+ 211.08418 156.5
[M-H]- 187.08768 150.9
[M+NH4]+ 206.12878 165.2
[M+K]+ 227.05812 153.6
[M+H-H2O]+ 171.09222 135.9
[M+HCOO]- 233.09316 166.8
[M+CH3COO]- 247.10881 196.9
[M+Na-2H]- 209.06963 153.0
[M]+ 188.09441 141.7
[M]- 188.09551 141.7
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