CID 924569

N-(2-cyanophenyl)propanamide

Structural Information

Molecular Formula
C10H10N2O
SMILES
CCC(=O)NC1=CC=CC=C1C#N
InChI
InChI=1S/C10H10N2O/c1-2-10(13)12-9-6-4-3-5-8(9)7-11/h3-6H,2H2,1H3,(H,12,13)
InChIKey
PIBKRHDFKULILH-UHFFFAOYSA-N
Compound name
N-(2-cyanophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

174.07932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 140.2
[M+Na]+ 197.06854 149.3
[M-H]- 173.07204 143.5
[M+NH4]+ 192.11314 158.1
[M+K]+ 213.04248 146.5
[M+H-H2O]+ 157.07658 127.6
[M+HCOO]- 219.07752 161.0
[M+CH3COO]- 233.09317 194.9
[M+Na-2H]- 195.05399 145.4
[M]+ 174.07877 134.9
[M]- 174.07987 134.9
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