CID 14654468

122225-22-3

Structural Information

Molecular Formula

C₁₂H₁₇NO₄

SMILES

COCOCCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H17NO4/c1-15-10-16-8-7-13-12(14)17-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,14)

InChIKey

VTEZVUHFLIJPQP-UHFFFAOYSA-N

Compound name

benzyl N-[2-(methoxymethoxy)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 239.11575 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]+	240.123026	153.4
[M+Na]+	262.104968	158.5
[M-H]-	238.108474	156.4
[M+NH4]+	257.149573	170.5
[M+K]+	278.078908	157.9
[M+H-H2O]+	222.113010	146.1
[M+HCOO]-	284.113951	178.1
[M+CH3COO]-	298.129601	192.0
[M+Na-2H]-	260.090416	159.1
[M]+	239.11520142	157.9
[M]-	239.11629858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe