CID 24820359

518047-98-8

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CC(C)(/C(=N\O)/N)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C12H17N3O3/c1-12(2,10(13)15-17)14-11(16)18-8-9-6-4-3-5-7-9/h3-7,17H,8H2,1-2H3,(H2,13,15)(H,14,16)
InChIKey
WWSJZCLRWHEHPA-UHFFFAOYSA-N
Compound name
benzyl N-[(1E)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

251.127 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 157.0
[M+Na]+ 274.11622 160.9
[M-H]- 250.11972 159.8
[M+NH4]+ 269.16082 172.6
[M+K]+ 290.09016 159.9
[M+H-H2O]+ 234.12426 149.8
[M+HCOO]- 296.12520 180.5
[M+CH3COO]- 310.14085 199.4
[M+Na-2H]- 272.10167 161.9
[M]+ 251.12645 155.5
[M]- 251.12755 155.5
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

patents stripe