CID 25005

Valrez cm

Structural Information

Molecular Formula

C₆H₁₃NO₅

SMILES

COCCOC(=O)N(CO)CO

InChI

InChI=1S/C6H13NO5/c1-11-2-3-12-6(10)7(4-8)5-9/h8-9H,2-5H2,1H3

InChIKey

SKJLIATVTKHMNL-UHFFFAOYSA-N

Compound name

2-methoxyethyl N,N-bis(hydroxymethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 46
Patents: 179.07938 Da
Monoisotopic Mass: -1.2
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]+	180.08666	136.8
[M+Na]+	202.06860	142.5
[M-H]-	178.07210	135.7
[M+NH4]+	197.11320	155.7
[M+K]+	218.04254	144.0
[M+H-H2O]+	162.07664	131.3
[M+HCOO]-	224.07758	159.5
[M+CH3COO]-	238.09323	179.0
[M+Na-2H]-	200.05405	141.1
[M]+	179.07883	140.4
[M]-	179.07993	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe