CID 25067268

225641-84-9

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C1)O

InChI

InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8+/m1/s1

InChIKey

SBUKINULYZANSP-SFYZADRCSA-N

Compound name

tert-butyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 191
Patents: 201.13649 Da
Monoisotopic Mass: 1.2
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]+	202.14377	147.3
[M+Na]+	224.12571	152.2
[M-H]-	200.12921	149.2
[M+NH4]+	219.17031	167.4
[M+K]+	240.09965	151.6
[M+H-H2O]+	184.13375	142.4
[M+HCOO]-	246.13469	167.1
[M+CH3COO]-	260.15034	183.0
[M+Na-2H]-	222.11116	149.7
[M]+	201.13594	145.3
[M]-	201.13704	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe