CID 11288582

57699-88-4

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₄

SMILES

CC(C)(C)OC(=O)NNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H18N2O4/c1-13(2,3)19-12(17)15-14-11(16)18-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,16)(H,15,17)

InChIKey

SBXLAJWMWLOZET-UHFFFAOYSA-N

Compound name

benzyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 266.12665 Da
Monoisotopic Mass: 2.3
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]+	267.13393	161.6
[M+Na]+	289.11587	169.4
[M+NH4]+	284.16047	166.8
[M+K]+	305.08981	166.0
[M-H]-	265.11937	161.7
[M+Na-2H]-	287.10132	165.8
[M]+	266.12610	162.3
[M]-	266.12720	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe