CID 65780

Butoctamide

Structural Information

Molecular Formula
C12H25NO2
SMILES
CCCCC(CC)CNC(=O)CC(C)O
InChI
InChI=1S/C12H25NO2/c1-4-6-7-11(5-2)9-13-12(15)8-10(3)14/h10-11,14H,4-9H2,1-3H3,(H,13,15)
InChIKey
WTBQLHRVRKXSPX-UHFFFAOYSA-N
Compound name
N-(2-ethylhexyl)-3-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

521
Patents

215.18852 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.19580 157.6
[M+Na]+ 238.17774 160.7
[M-H]- 214.18124 155.5
[M+NH4]+ 233.22234 175.2
[M+K]+ 254.15168 159.7
[M+H-H2O]+ 198.18578 151.8
[M+HCOO]- 260.18672 176.6
[M+CH3COO]- 274.20237 192.4
[M+Na-2H]- 236.16319 157.2
[M]+ 215.18797 158.5
[M]- 215.18907 158.5
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.