CID 10313120

(2s,3s)-(-)-3-propyloxiranemethanol

Structural Information

Molecular Formula
C6H12O2
SMILES
CCC[C@H]1[C@@H](O1)CO
InChI
InChI=1S/C6H12O2/c1-2-3-5-6(4-7)8-5/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
InChIKey
IGRZECZSICIWJA-WDSKDSINSA-N
Compound name
[(2S,3S)-3-propyloxiran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

116.08373 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 122.9
[M+Na]+ 139.07295 132.7
[M-H]- 115.07645 127.4
[M+NH4]+ 134.11755 139.2
[M+K]+ 155.04689 132.1
[M+H-H2O]+ 99.080990 117.5
[M+HCOO]- 161.08193 145.0
[M+CH3COO]- 175.09758 171.8
[M+Na-2H]- 137.05840 130.6
[M]+ 116.08318 127.4
[M]- 116.08428 127.4
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.