CID 49508

Brn 2590990

Structural Information

Molecular Formula

C₁₁H₁₅NO₅

SMILES

COC1=CC(=CC(=C1OC)OC)COC(=O)N

InChI

InChI=1S/C11H15NO5/c1-14-8-4-7(6-17-11(12)13)5-9(15-2)10(8)16-3/h4-5H,6H2,1-3H3,(H2,12,13)

InChIKey

IYDJZTKGMOPTES-UHFFFAOYSA-N

Compound name

(3,4,5-trimethoxyphenyl)methyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 241.09502 Da
Monoisotopic Mass: 1.0
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]+	242.102296	150.5
[M+Na]+	264.084238	158.6
[M-H]-	240.087744	154.2
[M+NH4]+	259.128843	168.0
[M+K]+	280.058178	158.6
[M+H-H2O]+	224.092280	143.8
[M+HCOO]-	286.093221	175.1
[M+CH3COO]-	300.108871	194.9
[M+Na-2H]-	262.069686	153.7
[M]+	241.09447142	156.3
[M]-	241.09556858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe