CID 135502789

Fragin

Structural Information

Molecular Formula
C13H27N3O3
SMILES
CCCCCCCC(=O)NCC(C(C)C)/[N+](=N/O)/[O-]
InChI
InChI=1S/C13H27N3O3/c1-4-5-6-7-8-9-13(17)14-10-12(11(2)3)16(19)15-18/h11-12,18H,4-10H2,1-3H3,(H,14,17)/b16-15-
InChIKey
SXMAXSCAVUEAAA-NXVVXOECSA-N
Compound name
(Z)-hydroxyimino-[3-methyl-1-(octanoylamino)butan-2-yl]-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.20523 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21251 167.4
[M+Na]+ 296.19445 173.2
[M+NH4]+ 291.23905 172.1
[M+K]+ 312.16839 171.7
[M-H]- 272.19795 167.1
[M+Na-2H]- 294.17990 167.2
[M]+ 273.20468 167.4
[M]- 273.20578 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.