CID 3521347

Acetone o-(benzyloxycarbonyl)oxime

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC(=NOC(=O)OCC1=CC=CC=C1)C
InChI
InChI=1S/C11H13NO3/c1-9(2)12-15-11(13)14-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey
YAECLTQWHQOIQR-UHFFFAOYSA-N
Compound name
benzyl (propan-2-ylideneamino) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

283
Patents

207.08954 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 145.1
[M+Na]+ 230.07876 151.3
[M-H]- 206.08226 149.9
[M+NH4]+ 225.12336 164.2
[M+K]+ 246.05270 151.2
[M+H-H2O]+ 190.08680 138.2
[M+HCOO]- 252.08774 170.7
[M+CH3COO]- 266.10339 188.8
[M+Na-2H]- 228.06421 150.5
[M]+ 207.08899 148.3
[M]- 207.09009 148.3
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.