CID 3063404

Brn 3140941

Structural Information

Molecular Formula
C13H17N3O
SMILES
CC(C(=O)NC(C#N)C1=CC=CC=C1)N(C)C
InChI
InChI=1S/C13H17N3O/c1-10(16(2)3)13(17)15-12(9-14)11-7-5-4-6-8-11/h4-8,10,12H,1-3H3,(H,15,17)
InChIKey
BCWYMKLESLJZIQ-UHFFFAOYSA-N
Compound name
N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 160.1
[M+Na]+ 254.12638 165.8
[M-H]- 230.12988 163.6
[M+NH4]+ 249.17098 175.5
[M+K]+ 270.10032 164.6
[M+H-H2O]+ 214.13442 146.1
[M+HCOO]- 276.13536 179.3
[M+CH3COO]- 290.15101 211.2
[M+Na-2H]- 252.11183 161.4
[M]+ 231.13661 154.5
[M]- 231.13771 154.5
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

No patent data available for this compound.