CID 4655044

70298-88-3

Structural Information

Molecular Formula
C10H14N2O
SMILES
CC(C)(C)C(=O)NC1=CN=CC=C1
InChI
InChI=1S/C10H14N2O/c1-10(2,3)9(13)12-8-5-4-6-11-7-8/h4-7H,1-3H3,(H,12,13)
InChIKey
VQXVCVTZSTYIMG-UHFFFAOYSA-N
Compound name
2,2-dimethyl-N-pyridin-3-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

178.11061 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.117886 139.9
[M+Na]+ 201.099828 146.7
[M-H]- 177.103334 142.3
[M+NH4]+ 196.144433 158.6
[M+K]+ 217.073768 145.2
[M+H-H2O]+ 161.107870 133.5
[M+HCOO]- 223.108811 161.8
[M+CH3COO]- 237.124461 182.7
[M+Na-2H]- 199.085276 147.5
[M]+ 178.11006142 139.4
[M]- 178.11115858 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe