CID 24729710

Tert-butyl n-[3-hydroxy-1-(hydroxymethyl)cyclopentyl]carbamate

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)OC(=O)NC1(CCC(C1)O)CO
InChI
InChI=1S/C11H21NO4/c1-10(2,3)16-9(15)12-11(7-13)5-4-8(14)6-11/h8,13-14H,4-7H2,1-3H3,(H,12,15)
InChIKey
JZICKPKNTMWZSX-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-hydroxy-1-(hydroxymethyl)cyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.14706 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 153.7
[M+Na]+ 254.13628 158.5
[M-H]- 230.13978 154.2
[M+NH4]+ 249.18088 173.8
[M+K]+ 270.11022 157.6
[M+H-H2O]+ 214.14432 150.0
[M+HCOO]- 276.14526 171.8
[M+CH3COO]- 290.16091 185.2
[M+Na-2H]- 252.12173 156.8
[M]+ 231.14651 152.0
[M]- 231.14761 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.