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

10
Patents

174.07932 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.086596 142.5
[M+Na]+ 197.068538 150.5
[M-H]- 173.072044 145.0
[M+NH4]+ 192.113143 159.7
[M+K]+ 213.042478 147.7
[M+H-H2O]+ 157.076580 129.8
[M+HCOO]- 219.077521 161.8
[M+CH3COO]- 233.093171 194.7
[M+Na-2H]- 195.053986 146.2
[M]+ 174.07877142 135.4
[M]- 174.07986858 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