CID 124404405

Rac-[(2r,5s)-5-(aminomethyl)oxolan-2-yl]methanol

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1C[C@@H](O[C@@H]1CN)CO
InChI
InChI=1S/C6H13NO2/c7-3-5-1-2-6(4-8)9-5/h5-6,8H,1-4,7H2/t5-,6+/m0/s1
InChIKey
HEBLJGTVZJGFHQ-NTSWFWBYSA-N
Compound name
[(2R,5S)-5-(aminomethyl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

131.09464 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 127.3
[M+Na]+ 154.08386 133.3
[M-H]- 130.08736 129.3
[M+NH4]+ 149.12846 148.4
[M+K]+ 170.05780 133.2
[M+H-H2O]+ 114.09190 122.3
[M+HCOO]- 176.09284 148.9
[M+CH3COO]- 190.10849 169.7
[M+Na-2H]- 152.06931 131.8
[M]+ 131.09409 124.0
[M]- 131.09519 124.0
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