CID 17515

2631-26-7

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

CCN(CC)C1=CC(=CC=C1)OC(=O)NC

InChI

InChI=1S/C12H18N2O2/c1-4-14(5-2)10-7-6-8-11(9-10)16-12(15)13-3/h6-9H,4-5H2,1-3H3,(H,13,15)

InChIKey

CZZWOJXFCKBYNE-UHFFFAOYSA-N

Compound name

[3-(diethylamino)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 222.13683 Da
Monoisotopic Mass: 2.2
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]+	223.14411	151.7
[M+Na]+	245.12605	157.3
[M-H]-	221.12955	156.6
[M+NH4]+	240.17065	170.2
[M+K]+	261.09999	156.9
[M+H-H2O]+	205.13409	144.5
[M+HCOO]-	267.13503	177.5
[M+CH3COO]-	281.15068	197.5
[M+Na-2H]-	243.11150	156.1
[M]+	222.13628	154.2
[M]-	222.13738	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe