CID 68714168

1454913-95-1

Structural Information

Molecular Formula

C₁₃H₂₅NO₃

SMILES

CC(C)(C)OC(=O)NC(CC1CCCC1)CO

InChI

InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11(9-15)8-10-6-4-5-7-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)

InChIKey

ZLEBLWDLKHDYEW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 243.18344 Da
Monoisotopic Mass: 2.9
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]+	244.190716	161.9
[M+Na]+	266.172658	164.3
[M-H]-	242.176164	162.8
[M+NH4]+	261.217263	179.9
[M+K]+	282.146598	163.5
[M+H-H2O]+	226.180700	156.2
[M+HCOO]-	288.181641	179.7
[M+CH3COO]-	302.197291	191.7
[M+Na-2H]-	264.158106	162.0
[M]+	243.18289142	159.9
[M]-	243.18398858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe