CID 6510164

3-methoxy-3-methyl-2-pentanone o-((phenylamino)carbonyl)oxime

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCC(C)(/C(=N\OC(=O)NC1=CC=CC=C1)/C)OC
InChI
InChI=1S/C14H20N2O3/c1-5-14(3,18-4)11(2)16-19-13(17)15-12-9-7-6-8-10-12/h6-10H,5H2,1-4H3,(H,15,17)/b16-11-
InChIKey
BWLQNODHAYARNZ-WJDWOHSUSA-N
Compound name
[(Z)-(3-methoxy-3-methylpentan-2-ylidene)amino] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 162.4
[M+Na]+ 287.13662 166.9
[M-H]- 263.14012 166.9
[M+NH4]+ 282.18122 178.9
[M+K]+ 303.11056 166.5
[M+H-H2O]+ 247.14466 155.1
[M+HCOO]- 309.14560 186.4
[M+CH3COO]- 323.16125 203.2
[M+Na-2H]- 285.12207 167.4
[M]+ 264.14685 165.4
[M]- 264.14795 165.4
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.