CID 51857

73622-68-1

Structural Information

Molecular Formula
C11H21NO2
SMILES
CC(C)CCC(C)NC(=O)CC(=O)C
InChI
InChI=1S/C11H21NO2/c1-8(2)5-6-9(3)12-11(14)7-10(4)13/h8-9H,5-7H2,1-4H3,(H,12,14)
InChIKey
NDOJWLCHAUMMPF-UHFFFAOYSA-N
Compound name
N-(5-methylhexan-2-yl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.15723 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.164506 150.7
[M+Na]+ 222.146448 154.8
[M-H]- 198.149954 150.4
[M+NH4]+ 217.191053 169.6
[M+K]+ 238.120388 154.8
[M+H-H2O]+ 182.154490 145.2
[M+HCOO]- 244.155431 170.8
[M+CH3COO]- 258.171081 192.0
[M+Na-2H]- 220.131896 150.3
[M]+ 199.15668142 151.9
[M]- 199.15777858 151.9
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.