CID 29415032

Phenylmethyl n-[2-(hydroxyamino)-2-imino-1,1-dimethylethyl]carbamate

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-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

251.127 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.134276 157.0
[M+Na]+ 274.116218 160.9
[M-H]- 250.119724 159.8
[M+NH4]+ 269.160823 172.6
[M+K]+ 290.090158 159.9
[M+H-H2O]+ 234.124260 149.8
[M+HCOO]- 296.125201 180.5
[M+CH3COO]- 310.140851 199.4
[M+Na-2H]- 272.101666 161.9
[M]+ 251.12645142 155.5
[M]- 251.12754858 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

literature stripe

Patent stripe

patents stripe