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]+ 175.086596 140.2
[M+Na]+ 197.068538 149.3
[M-H]- 173.072044 143.5
[M+NH4]+ 192.113143 158.1
[M+K]+ 213.042478 146.5
[M+H-H2O]+ 157.076580 127.6
[M+HCOO]- 219.077521 161.0
[M+CH3COO]- 233.093171 194.9
[M+Na-2H]- 195.053986 145.4
[M]+ 174.07877142 134.9
[M]- 174.07986858 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