CID 99859

13-hydroxyimino-oxacyclohexadecan-2-one

Structural Information

Molecular Formula
C15H27NO3
SMILES
C1CCCCCC(=O)OCCCC(=NO)CCCC1
InChI
InChI=1S/C15H27NO3/c17-15-12-8-6-4-2-1-3-5-7-10-14(16-18)11-9-13-19-15/h18H,1-13H2
InChIKey
ALVVVGFCZNOOFD-UHFFFAOYSA-N
Compound name
13-hydroxyimino-oxacyclohexadecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

269.1991 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.206376 163.4
[M+Na]+ 292.188318 163.8
[M-H]- 268.191824 164.6
[M+NH4]+ 287.232923 174.4
[M+K]+ 308.162258 163.9
[M+H-H2O]+ 252.196360 160.1
[M+HCOO]- 314.197301 178.2
[M+CH3COO]- 328.212951 188.5
[M+Na-2H]- 290.173766 164.1
[M]+ 269.19855142 151.1
[M]- 269.19964858 151.1
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

patents stripe