CID 84794371

Tert-butyln-[3-(hydroxymethyl)oxan-3-yl]carbamate

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)OC(=O)NC1(CCCOC1)CO
InChI
InChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-11(7-13)5-4-6-15-8-11/h13H,4-8H2,1-3H3,(H,12,14)
InChIKey
MEAOVLPDCLHWQU-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(hydroxymethyl)oxan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.14706 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 153.4
[M+Na]+ 254.13628 157.1
[M-H]- 230.13978 155.4
[M+NH4]+ 249.18088 170.9
[M+K]+ 270.11022 158.1
[M+H-H2O]+ 214.14432 148.6
[M+HCOO]- 276.14526 170.2
[M+CH3COO]- 290.16091 187.0
[M+Na-2H]- 252.12173 159.6
[M]+ 231.14651 151.9
[M]- 231.14761 151.9
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.