CID 54030

C 3221

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₂

SMILES

CCN(CC)CCNC(=O)OC1=C(C=CC=C1C)C

InChI

InChI=1S/C15H24N2O2/c1-5-17(6-2)11-10-16-15(18)19-14-12(3)8-7-9-13(14)4/h7-9H,5-6,10-11H2,1-4H3,(H,16,18)

InChIKey

XUCMTIVZUGXFBN-UHFFFAOYSA-N

Compound name

(2,6-dimethylphenyl) N-[2-(diethylamino)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 264.18378 Da
Monoisotopic Mass: 3.0
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]+	265.191056	165.3
[M+Na]+	287.172998	170.5
[M-H]-	263.176504	170.0
[M+NH4]+	282.217603	182.4
[M+K]+	303.146938	169.5
[M+H-H2O]+	247.181040	157.8
[M+HCOO]-	309.181981	190.1
[M+CH3COO]-	323.197631	207.7
[M+Na-2H]-	285.158446	167.4
[M]+	264.18323142	169.3
[M]-	264.18432858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe