CID 100980

59191-99-0

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
CC(C)(C)C(=O)CC(=O)NC1=C(C=CC(=C1)N)Cl
InChI
InChI=1S/C13H17ClN2O2/c1-13(2,3)11(17)7-12(18)16-10-6-8(15)4-5-9(10)14/h4-6H,7,15H2,1-3H3,(H,16,18)
InChIKey
YCUUYCDRYVMBGY-UHFFFAOYSA-N
Compound name
N-(5-amino-2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

268.09787 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10515 161.6
[M+Na]+ 291.08709 168.8
[M-H]- 267.09059 165.1
[M+NH4]+ 286.13169 178.6
[M+K]+ 307.06103 164.9
[M+H-H2O]+ 251.09513 156.5
[M+HCOO]- 313.09607 179.1
[M+CH3COO]- 327.11172 201.8
[M+Na-2H]- 289.07254 163.7
[M]+ 268.09732 162.9
[M]- 268.09842 162.9
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

patents stripe