CID 135679494

2-(hydroxyimino)-n-octyl-3-oxobutanamide

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CCCCCCCCNC(=O)/C(=C(/C)\O)/N=O
InChI
InChI=1S/C12H22N2O3/c1-3-4-5-6-7-8-9-13-12(16)11(14-17)10(2)15/h15H,3-9H2,1-2H3,(H,13,16)/b11-10+
InChIKey
UZWQGCYLYAJOCE-ZHACJKMWSA-N
Compound name
(E)-3-hydroxy-2-nitroso-N-octylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 160.6
[M+Na]+ 265.15226 163.8
[M-H]- 241.15576 159.9
[M+NH4]+ 260.19686 177.2
[M+K]+ 281.12620 163.0
[M+H-H2O]+ 225.16030 153.9
[M+HCOO]- 287.16124 182.8
[M+CH3COO]- 301.17689 199.6
[M+Na-2H]- 263.13771 161.1
[M]+ 242.16249 162.5
[M]- 242.16359 162.5
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.