CID 137963942

2227880-74-0

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)[C@@H]1COC[C@H]1N
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)6-4-12-5-7(6)10/h6-7H,4-5,10H2,1-3H3/t6-,7-/m1/s1
InChIKey
KHFMOCFGCVKWHU-RNFRBKRXSA-N
Compound name
tert-butyl (3S,4S)-4-aminooxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.12085 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 142.4
[M+Na]+ 210.11007 148.2
[M-H]- 186.11357 145.9
[M+NH4]+ 205.15467 162.2
[M+K]+ 226.08401 149.2
[M+H-H2O]+ 170.11811 137.6
[M+HCOO]- 232.11905 162.5
[M+CH3COO]- 246.13470 182.5
[M+Na-2H]- 208.09552 145.7
[M]+ 187.12030 141.6
[M]- 187.12140 141.6
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.