CID 14708120

127446-34-8

Structural Information

Molecular Formula
C11H13ClN2O2
SMILES
CC(C)(C)C(=O)NC1=C(C=CC(=N1)Cl)C=O
InChI
InChI=1S/C11H13ClN2O2/c1-11(2,3)10(16)14-9-7(6-15)4-5-8(12)13-9/h4-6H,1-3H3,(H,13,14,16)
InChIKey
QTIICTFBNRXNRF-UHFFFAOYSA-N
Compound name
N-(6-chloro-3-formyl-2-pyridinyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

240.06656 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07384 151.7
[M+Na]+ 263.05578 160.9
[M-H]- 239.05928 154.5
[M+NH4]+ 258.10038 169.1
[M+K]+ 279.02972 157.1
[M+H-H2O]+ 223.06382 146.2
[M+HCOO]- 285.06476 169.1
[M+CH3COO]- 299.08041 193.1
[M+Na-2H]- 261.04123 156.9
[M]+ 240.06601 155.1
[M]- 240.06711 155.1
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.