CID 68826975

445480-33-1

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1O
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-7-4-5-14-6-8(7)12/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8-/m1/s1
InChIKey
KWKVNKDJIRDXRH-HTQZYQBOSA-N
Compound name
tert-butyl N-[(3S,4R)-3-hydroxyoxan-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

217.13141 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 149.4
[M+Na]+ 240.12063 153.5
[M-H]- 216.12413 151.6
[M+NH4]+ 235.16523 165.7
[M+K]+ 256.09457 154.4
[M+H-H2O]+ 200.12867 143.9
[M+HCOO]- 262.12961 166.4
[M+CH3COO]- 276.14526 185.6
[M+Na-2H]- 238.10608 154.0
[M]+ 217.13086 147.5
[M]- 217.13196 147.5
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

patents stripe