CID 167733069

Rac-tert-butyl n-[(1r,2r,3r)-2,3-dihydroxycyclobutyl]carbamate

Structural Information

Molecular Formula
C9H17NO4
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H]([C@@H]1O)O
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10-5-4-6(11)7(5)12/h5-7,11-12H,4H2,1-3H3,(H,10,13)/t5-,6-,7-/m1/s1
InChIKey
LYXHWNBYHAXKSI-FSDSQADBSA-N
Compound name
tert-butyl N-[(1R,2R,3R)-2,3-dihydroxycyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.11575 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 150.7
[M+Na]+ 226.10497 153.2
[M+NH4]+ 221.14957 152.0
[M+K]+ 242.07891 152.9
[M-H]- 202.10847 146.1
[M+Na-2H]- 224.09042 148.9
[M]+ 203.11520 148.1
[M]- 203.11630 148.1
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.