CID 58058121

1355573-66-8

Structural Information

Molecular Formula

C₁₃H₁₉NO₄

SMILES

CN(CC(OC)OC)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H19NO4/c1-14(9-12(16-2)17-3)13(15)18-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3

InChIKey

HEBMMQSGJYUMAK-UHFFFAOYSA-N

Compound name

benzyl N-(2,2-dimethoxyethyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 253.13141 Da
Monoisotopic Mass: 2.0
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]+	254.13869	157.8
[M+Na]+	276.12063	167.4
[M+NH4]+	271.16523	164.3
[M+K]+	292.09457	162.9
[M-H]-	252.12413	158.9
[M+Na-2H]-	274.10608	162.8
[M]+	253.13086	159.2
[M]-	253.13196	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe