CID 106208

Einecs 267-898-6

Structural Information

Molecular Formula

C₇H₁₅NO₄

SMILES

CC(C)OCCOC(=O)NCO

InChI

InChI=1S/C7H15NO4/c1-6(2)11-3-4-12-7(10)8-5-9/h6,9H,3-5H2,1-2H3,(H,8,10)

InChIKey

IPTFXTZKPZNVFY-UHFFFAOYSA-N

Compound name

2-propan-2-yloxyethyl N-(hydroxymethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.10011 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]+	178.10739	139.3
[M+Na]+	200.08933	144.6
[M-H]-	176.09283	138.0
[M+NH4]+	195.13393	158.4
[M+K]+	216.06327	145.4
[M+H-H2O]+	160.09737	133.9
[M+HCOO]-	222.09831	161.5
[M+CH3COO]-	236.11396	179.9
[M+Na-2H]-	198.07478	143.0
[M]+	177.09956	141.8
[M]-	177.10066	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe