CID 57786570

1602328-83-5

Structural Information

Molecular Formula

C₇H₁₅NO₃

SMILES

CN(CCCOC)C(=O)OC

InChI

InChI=1S/C7H15NO3/c1-8(7(9)11-3)5-4-6-10-2/h4-6H2,1-3H3

InChIKey

ARJYYFLTCRYLOX-UHFFFAOYSA-N

Compound name

methyl N-(3-methoxypropyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 161.1052 Da
Monoisotopic Mass: 0.3
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]+	162.11248	135.5
[M+Na]+	184.09442	141.8
[M-H]-	160.09792	137.2
[M+NH4]+	179.13902	156.8
[M+K]+	200.06836	143.9
[M+H-H2O]+	144.10246	130.0
[M+HCOO]-	206.10340	160.5
[M+CH3COO]-	220.11905	183.1
[M+Na-2H]-	182.07987	140.2
[M]+	161.10465	140.5
[M]-	161.10575	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe