CID 106932305

(2s)-1-[(oxetan-3-yl)amino]propan-2-ol

Structural Information

Molecular Formula
C6H13NO2
SMILES
C[C@@H](CNC1COC1)O
InChI
InChI=1S/C6H13NO2/c1-5(8)2-7-6-3-9-4-6/h5-8H,2-4H2,1H3/t5-/m0/s1
InChIKey
XMRDVXKBPHPQMH-YFKPBYRVSA-N
Compound name
(2S)-1-(oxetan-3-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 126.9
[M+Na]+ 154.08386 130.5
[M-H]- 130.08736 129.4
[M+NH4]+ 149.12846 139.9
[M+K]+ 170.05780 134.7
[M+H-H2O]+ 114.09190 116.2
[M+HCOO]- 176.09284 146.9
[M+CH3COO]- 190.10849 175.7
[M+Na-2H]- 152.06931 133.0
[M]+ 131.09409 134.0
[M]- 131.09519 134.0
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

No patent data available for this compound.