CID 45092031

140887-54-3

Structural Information

Molecular Formula

C₉H₂₀N₂O₃

SMILES

CC(C)(C)OC(=O)NC(CN)COC

InChI

InChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)11-7(5-10)6-13-4/h7H,5-6,10H2,1-4H3,(H,11,12)

InChIKey

RIQNSCBRYGWVTD-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-amino-3-methoxypropan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 204.1474 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]+	205.15468	149.2
[M+Na]+	227.13662	153.9
[M-H]-	203.14012	148.8
[M+NH4]+	222.18122	167.6
[M+K]+	243.11056	154.7
[M+H-H2O]+	187.14466	143.7
[M+HCOO]-	249.14560	170.9
[M+CH3COO]-	263.16125	190.5
[M+Na-2H]-	225.12207	152.3
[M]+	204.14685	150.5
[M]-	204.14795	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe