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]+ 232.154336 153.7
[M+Na]+ 254.136278 158.5
[M-H]- 230.139784 154.2
[M+NH4]+ 249.180883 173.8
[M+K]+ 270.110218 157.6
[M+H-H2O]+ 214.144320 150.0
[M+HCOO]- 276.145261 171.8
[M+CH3COO]- 290.160911 185.2
[M+Na-2H]- 252.121726 156.8
[M]+ 231.14651142 152.0
[M]- 231.14760858 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.