CID 84683868

1327336-50-4

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₃

SMILES

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

InChI

InChI=1S/C10H22N2O3/c1-10(2,3)15-9(14)12(5)7-8(13)6-11-4/h8,11,13H,6-7H2,1-5H3

InChIKey

CHNKIQHZJLEFSM-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-hydroxy-3-(methylamino)propyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 218.16304 Da
Monoisotopic Mass: 0.1
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]+	219.17032	153.6
[M+Na]+	241.15226	157.6
[M-H]-	217.15576	153.6
[M+NH4]+	236.19686	171.6
[M+K]+	257.12620	159.0
[M+H-H2O]+	201.16030	148.0
[M+HCOO]-	263.16124	174.5
[M+CH3COO]-	277.17689	195.1
[M+Na-2H]-	239.13771	156.0
[M]+	218.16249	155.6
[M]-	218.16359	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe