CID 16740626

946385-09-7

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CC(C)(C)OC(=O)NC(C1=CC=CC=C1)/C(=N/O)/N
InChI
InChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)15-10(11(14)16-18)9-7-5-4-6-8-9/h4-8,10,18H,1-3H3,(H2,14,16)(H,15,17)
InChIKey
LESQJSHFHZTDQU-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2Z)-2-amino-2-hydroxyimino-1-phenylethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.149916 162.2
[M+Na]+ 288.131858 165.5
[M-H]- 264.135364 164.9
[M+NH4]+ 283.176463 177.2
[M+K]+ 304.105798 164.9
[M+H-H2O]+ 248.139900 155.0
[M+HCOO]- 310.140841 184.4
[M+CH3COO]- 324.156491 202.7
[M+Na-2H]- 286.117306 165.3
[M]+ 265.14209142 160.3
[M]- 265.14318858 160.3
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.