CID 56760824

1244059-91-3

Structural Information

Molecular Formula

C₈H₁₇N₃O₃

SMILES

CC(C)(C)OC(=O)NCC/C(=N/O)/N

InChI

InChI=1S/C8H17N3O3/c1-8(2,3)14-7(12)10-5-4-6(9)11-13/h13H,4-5H2,1-3H3,(H2,9,11)(H,10,12)

InChIKey

UTRZCIJAPSBNIF-UHFFFAOYSA-N

Compound name

tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 203.127 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.13428	146.8
[M+Na]+	226.11622	151.5
[M+NH4]+	221.16082	151.3
[M+K]+	242.09016	149.8
[M-H]-	202.11972	144.6
[M+Na-2H]-	224.10167	147.4
[M]+	203.12645	146.1
[M]-	203.12755	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe