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]+ 200.16451 150.7
[M+Na]+ 222.14645 154.8
[M-H]- 198.14995 150.4
[M+NH4]+ 217.19105 169.6
[M+K]+ 238.12039 154.8
[M+H-H2O]+ 182.15449 145.2
[M+HCOO]- 244.15543 170.8
[M+CH3COO]- 258.17108 192.0
[M+Na-2H]- 220.13190 150.3
[M]+ 199.15668 151.9
[M]- 199.15778 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.