CID 201814

Salicylaldehyde dimethyl acetal carbamate

Structural Information

Molecular Formula

C₁₁H₁₅NO₄

SMILES

CNC(=O)OC1=CC=CC=C1C(OC)OC

InChI

InChI=1S/C11H15NO4/c1-12-11(13)16-9-7-5-4-6-8(9)10(14-2)15-3/h4-7,10H,1-3H3,(H,12,13)

InChIKey

UGTQVEQBTKIHOA-UHFFFAOYSA-N

Compound name

[2-(dimethoxymethyl)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 225.10011 Da
Monoisotopic Mass: 0.7
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]+	226.107386	148.9
[M+Na]+	248.089328	155.2
[M-H]-	224.092834	152.6
[M+NH4]+	243.133933	166.8
[M+K]+	264.063268	155.3
[M+H-H2O]+	208.097370	142.2
[M+HCOO]-	270.098311	173.0
[M+CH3COO]-	284.113961	191.1
[M+Na-2H]-	246.074776	153.2
[M]+	225.09956142	152.8
[M]-	225.10065858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe