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

312
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

literature stripe

Patent stripe

patents stripe