CID 12300332

3-cyano-3-phenylpropanamide

Structural Information

Molecular Formula
C10H10N2O
SMILES
C1=CC=C(C=C1)C(CC(=O)N)C#N
InChI
InChI=1S/C10H10N2O/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6H2,(H2,12,13)
InChIKey
OVGVPADZHRYCLV-UHFFFAOYSA-N
Compound name
3-cyano-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

174.07932 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 142.5
[M+Na]+ 197.06854 150.5
[M-H]- 173.07204 145.0
[M+NH4]+ 192.11314 159.7
[M+K]+ 213.04248 147.7
[M+H-H2O]+ 157.07658 129.8
[M+HCOO]- 219.07752 161.8
[M+CH3COO]- 233.09317 194.7
[M+Na-2H]- 195.05399 146.2
[M]+ 174.07877 135.4
[M]- 174.07987 135.4
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

patents stripe