CID 44942

Mc 3024

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₄

SMILES

CCC(CC)(CNC(=O)OCC)CNC(=O)OCC

InChI

InChI=1S/C13H26N2O4/c1-5-13(6-2,9-14-11(16)18-7-3)10-15-12(17)19-8-4/h5-10H2,1-4H3,(H,14,16)(H,15,17)

InChIKey

JOFVJGBNXDXSEO-UHFFFAOYSA-N

Compound name

ethyl N-[2-[(ethoxycarbonylamino)methyl]-2-ethylbutyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.18927 Da
Monoisotopic Mass: 2.3
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]+	275.196546	168.3
[M+Na]+	297.178488	171.5
[M-H]-	273.181994	167.7
[M+NH4]+	292.223093	184.1
[M+K]+	313.152428	171.7
[M+H-H2O]+	257.186530	161.9
[M+HCOO]-	319.187471	189.7
[M+CH3COO]-	333.203121	203.7
[M+Na-2H]-	295.163936	170.6
[M]+	274.18872142	172.8
[M]-	274.18981858	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe