CID 86617883

1824163-90-7

Structural Information

Molecular Formula

C₁₃H₂₅NO₅

SMILES

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

InChI

InChI=1S/C13H25NO5/c1-12(2,3)18-10(16)14(8-7-9-15)11(17)19-13(4,5)6/h15H,7-9H2,1-6H3

InChIKey

OHUHJOQGBBBLLU-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-hydroxypropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 275.17328 Da
Monoisotopic Mass: 2.0
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]+	276.180556	165.1
[M+Na]+	298.162498	169.6
[M-H]-	274.166004	165.1
[M+NH4]+	293.207103	181.5
[M+K]+	314.136438	171.4
[M+H-H2O]+	258.170540	160.2
[M+HCOO]-	320.171481	183.4
[M+CH3COO]-	334.187131	200.6
[M+Na-2H]-	296.147946	167.5
[M]+	275.17273142	170.8
[M]-	275.17382858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe