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-formylpyridin-2-yl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
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

literature stripe

Patent stripe

patents stripe