CID 357734

500871-60-3

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₃

SMILES

CCN(CC)C(=O)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C11H22N2O3/c1-6-13(7-2)9(14)8-12-10(15)16-11(3,4)5/h6-8H2,1-5H3,(H,12,15)

InChIKey

ZRZSEPNHPXXTKZ-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(diethylamino)-2-oxoethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 230.16304 Da
Monoisotopic Mass: 1.2
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]+	231.17032	156.3
[M+Na]+	253.15226	160.7
[M-H]-	229.15576	157.7
[M+NH4]+	248.19686	174.6
[M+K]+	269.12620	162.2
[M+H-H2O]+	213.16030	150.5
[M+HCOO]-	275.16124	178.7
[M+CH3COO]-	289.17689	199.0
[M+Na-2H]-	251.13771	158.8
[M]+	230.16249	159.9
[M]-	230.16359	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe