CID 458585

3-amino-4-hydroxy-3-methyl-hexanamide

Structural Information

Molecular Formula
C7H16N2O2
SMILES
CCC(C(C)(CC(=O)N)N)O
InChI
InChI=1S/C7H16N2O2/c1-3-5(10)7(2,9)4-6(8)11/h5,10H,3-4,9H2,1-2H3,(H2,8,11)
InChIKey
YSYYSSVEUWWWIG-UHFFFAOYSA-N
Compound name
3-amino-4-hydroxy-3-methylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.12119 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.12847 137.6
[M+Na]+ 183.11041 142.5
[M-H]- 159.11391 135.5
[M+NH4]+ 178.15501 156.5
[M+K]+ 199.08435 142.0
[M+H-H2O]+ 143.11845 132.8
[M+HCOO]- 205.11939 157.4
[M+CH3COO]- 219.13504 181.3
[M+Na-2H]- 181.09586 140.0
[M]+ 160.12064 133.9
[M]- 160.12174 133.9
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.