CID 3063233

Acetamide, n-(alpha-cyanobenzyl)-2-(dimethylamino)-

Structural Information

Molecular Formula
C12H15N3O
SMILES
CN(C)CC(=O)N(CC1=CC=CC=C1)C#N
InChI
InChI=1S/C12H15N3O/c1-14(2)9-12(16)15(10-13)8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKey
JIVLNYDFUYLDRR-UHFFFAOYSA-N
Compound name
N-benzyl-N-cyano-2-(dimethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 153.5
[M+Na]+ 240.110718 160.3
[M-H]- 216.114224 158.4
[M+NH4]+ 235.155323 170.2
[M+K]+ 256.084658 159.5
[M+H-H2O]+ 200.118760 139.3
[M+HCOO]- 262.119701 175.3
[M+CH3COO]- 276.135351 210.1
[M+Na-2H]- 238.096166 157.1
[M]+ 217.12095142 149.9
[M]- 217.12204858 149.9
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

No patent data available for this compound.