CID 10511887

144912-84-5

Structural Information

Molecular Formula

C₈H₁₈N₂O₃

SMILES

CC(C)(C)OC(=O)NCC(CN)O

InChI

InChI=1S/C8H18N2O3/c1-8(2,3)13-7(12)10-5-6(11)4-9/h6,11H,4-5,9H2,1-3H3,(H,10,12)

InChIKey

LZNOKWJGNPKUSE-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-amino-2-hydroxypropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 268
Patents: 190.13174 Da
Monoisotopic Mass: -0.6
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]+	191.13902	144.1
[M+Na]+	213.12096	149.4
[M+NH4]+	208.16556	149.1
[M+K]+	229.09490	147.8
[M-H]-	189.12446	141.4
[M+Na-2H]-	211.10641	144.5
[M]+	190.13119	143.4
[M]-	190.13229	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe