CID 23112516

227751-84-0

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₄

SMILES

CC(C)(C)OC(=O)NCCCC(=O)N(C)OC

InChI

InChI=1S/C11H22N2O4/c1-11(2,3)17-10(15)12-8-6-7-9(14)13(4)16-5/h6-8H2,1-5H3,(H,12,15)

InChIKey

CRDBABWMOLDZLV-UHFFFAOYSA-N

Compound name

tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 246.15796 Da
Monoisotopic Mass: 0.8
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]+	247.165236	158.8
[M+Na]+	269.147178	163.1
[M-H]-	245.150684	160.1
[M+NH4]+	264.191783	176.4
[M+K]+	285.121118	165.1
[M+H-H2O]+	229.155220	152.7
[M+HCOO]-	291.156161	181.4
[M+CH3COO]-	305.171811	201.1
[M+Na-2H]-	267.132626	161.5
[M]+	246.15741142	163.9
[M]-	246.15850858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe