CID 9588983

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

Structural Information

Molecular Formula
C14H19ClN2O3
SMILES
CCC(C)(/C(=N/OC(=O)NC1=CC(=CC=C1)Cl)/C)OC
InChI
InChI=1S/C14H19ClN2O3/c1-5-14(3,19-4)10(2)17-20-13(18)16-12-8-6-7-11(15)9-12/h6-9H,5H2,1-4H3,(H,16,18)/b17-10+
InChIKey
PARVYYPNDPHABN-LICLKQGHSA-N
Compound name
[(E)-(3-methoxy-3-methylpentan-2-ylidene)amino] N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.10843 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.115706 168.8
[M+Na]+ 321.097648 175.0
[M-H]- 297.101154 173.6
[M+NH4]+ 316.142253 185.2
[M+K]+ 337.071588 172.6
[M+H-H2O]+ 281.105690 162.6
[M+HCOO]- 343.106631 188.3
[M+CH3COO]- 357.122281 208.1
[M+Na-2H]- 319.083096 172.6
[M]+ 298.10788142 174.3
[M]- 298.10897858 174.3
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.