CID 6510168

2-pentanone, 3-methoxy-3-methyl-, o-((cyclohexylamino)carbonyl)oxime

Structural Information

Molecular Formula
C14H26N2O3
SMILES
CCC(C)(/C(=N\OC(=O)NC1CCCCC1)/C)OC
InChI
InChI=1S/C14H26N2O3/c1-5-14(3,18-4)11(2)16-19-13(17)15-12-9-7-6-8-10-12/h12H,5-10H2,1-4H3,(H,15,17)/b16-11-
InChIKey
MBCSXZFYMKINSC-WJDWOHSUSA-N
Compound name
[(Z)-(3-methoxy-3-methylpentan-2-ylidene)amino] N-cyclohexylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.19434 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.201616 165.9
[M+Na]+ 293.183558 167.3
[M-H]- 269.187064 169.2
[M+NH4]+ 288.228163 182.0
[M+K]+ 309.157498 167.6
[M+H-H2O]+ 253.191600 158.9
[M+HCOO]- 315.192541 185.6
[M+CH3COO]- 329.208191 204.4
[M+Na-2H]- 291.169006 168.2
[M]+ 270.19379142 164.7
[M]- 270.19488858 164.7
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.