CID 69588176

1330763-30-8

Structural Information

Molecular Formula
C9H18N2O3
SMILES
CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1N
InChI
InChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-7-5-13-4-6(7)10/h6-7H,4-5,10H2,1-3H3,(H,11,12)/t6-,7-/m1/s1
InChIKey
HWYDCYLRWDJCCH-RNFRBKRXSA-N
Compound name
tert-butyl N-[(3S,4S)-4-aminooxolan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

202.13174 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.13902 146.6
[M+Na]+ 225.12096 151.4
[M-H]- 201.12446 150.0
[M+NH4]+ 220.16556 165.4
[M+K]+ 241.09490 152.4
[M+H-H2O]+ 185.12900 141.1
[M+HCOO]- 247.12994 167.6
[M+CH3COO]- 261.14559 187.0
[M+Na-2H]- 223.10641 150.2
[M]+ 202.13119 144.9
[M]- 202.13229 144.9
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

patents stripe