CID 199801

N-(1-cyano-1-phenylpropyl)acetamide

Structural Information

Molecular Formula
C12H14N2O
SMILES
CCC(C#N)(C1=CC=CC=C1)NC(=O)C
InChI
InChI=1S/C12H14N2O/c1-3-12(9-13,14-10(2)15)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,14,15)
InChIKey
XXJOYBGWMQMEQQ-UHFFFAOYSA-N
Compound name
N-(1-cyano-1-phenylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

202.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 151.9
[M+Na]+ 225.09983 159.7
[M-H]- 201.10333 154.7
[M+NH4]+ 220.14443 168.6
[M+K]+ 241.07377 156.9
[M+H-H2O]+ 185.10787 139.2
[M+HCOO]- 247.10881 170.6
[M+CH3COO]- 261.12446 199.6
[M+Na-2H]- 223.08528 157.1
[M]+ 202.11006 146.3
[M]- 202.11116 146.3
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