CID 16740551

Tert-butyl n-[(2z)-2-(hydroxyimino)-2-phenylethyl]carbamate

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CC(C)(C)OC(=O)NC/C(=N\O)/C1=CC=CC=C1
InChI
InChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)14-9-11(15-17)10-7-5-4-6-8-10/h4-8,17H,9H2,1-3H3,(H,14,16)/b15-11+
InChIKey
OYCHXXYYNVNOEE-RVDMUPIBSA-N
Compound name
tert-butyl N-[(2Z)-2-hydroxyimino-2-phenylethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 158.3
[M+Na]+ 273.12096 162.9
[M-H]- 249.12446 161.6
[M+NH4]+ 268.16556 174.8
[M+K]+ 289.09490 161.9
[M+H-H2O]+ 233.12900 151.5
[M+HCOO]- 295.12994 181.2
[M+CH3COO]- 309.14559 197.0
[M+Na-2H]- 271.10641 163.3
[M]+ 250.13119 159.0
[M]- 250.13229 159.0
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.