CID 10845899

211812-04-3

Structural Information

Molecular Formula

C₉H₁₉NO₄

SMILES

CC(C)(C)OC(=O)NOC(C)(C)CO

InChI

InChI=1S/C9H19NO4/c1-8(2,3)13-7(12)10-14-9(4,5)6-11/h11H,6H2,1-5H3,(H,10,12)

InChIKey

ZOGLEOIAQNHQHA-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 205.13141 Da
Monoisotopic Mass: 0.9
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]+	206.13869	147.1
[M+Na]+	228.12063	152.8
[M-H]-	204.12413	146.1
[M+NH4]+	223.16523	165.5
[M+K]+	244.09457	153.6
[M+H-H2O]+	188.12867	142.9
[M+HCOO]-	250.12961	166.6
[M+CH3COO]-	264.14526	185.2
[M+Na-2H]-	226.10608	153.0
[M]+	205.13086	150.0
[M]-	205.13196	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe