CID 11458859

816429-99-9

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

CC(C)(C)OC(=O)NC(CC1CCC1)CO

InChI

InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10(8-14)7-9-5-4-6-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)

InChIKey

YAYOAQZEBASQLZ-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 15
Patents: 229.1678 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]+	230.175076	159.5
[M+Na]+	252.157018	161.0
[M-H]-	228.160524	160.6
[M+NH4]+	247.201623	169.8
[M+K]+	268.130958	163.8
[M+H-H2O]+	212.165060	148.1
[M+HCOO]-	274.166001	176.2
[M+CH3COO]-	288.181651	193.7
[M+Na-2H]-	250.142466	160.6
[M]+	229.16725142	167.3
[M]-	229.16834858	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe