CID 24843499

Brn 2621366

Structural Information

Molecular Formula

C₁₂H₁₇NO₄

SMILES

COC1=C(C=C(C=C1)CCCOC(=O)N)OC

InChI

InChI=1S/C12H17NO4/c1-15-10-6-5-9(8-11(10)16-2)4-3-7-17-12(13)14/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14)

InChIKey

NMCULMVCSNQQPM-UHFFFAOYSA-N

Compound name

3-(3,4-dimethoxyphenyl)propyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.11575 Da
Monoisotopic Mass: 1.4
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]+	240.12303	153.1
[M+Na]+	262.10497	160.0
[M-H]-	238.10847	156.3
[M+NH4]+	257.14957	170.4
[M+K]+	278.07891	159.1
[M+H-H2O]+	222.11301	146.3
[M+HCOO]-	284.11395	177.1
[M+CH3COO]-	298.12960	194.5
[M+Na-2H]-	260.09042	156.3
[M]+	239.11520	157.4
[M]-	239.11630	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe