CID 12740455

[rel-(1r,3r,5s)-6-oxabicyclo[3.1.0]hexan-3-yl]methanol

Structural Information

Molecular Formula
C6H10O2
SMILES
C1C(CC2C1O2)CO
InChI
InChI=1S/C6H10O2/c7-3-4-1-5-6(2-4)8-5/h4-7H,1-3H2
InChIKey
ZWMXHPOWONDHGL-UHFFFAOYSA-N
Compound name
6-oxabicyclo[3.1.0]hexan-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

114.06808 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.075356 120.0
[M+Na]+ 137.057298 130.2
[M-H]- 113.060804 125.0
[M+NH4]+ 132.101903 138.9
[M+K]+ 153.031238 129.0
[M+H-H2O]+ 97.065340 115.5
[M+HCOO]- 159.066281 140.9
[M+CH3COO]- 173.081931 169.6
[M+Na-2H]- 135.042746 127.6
[M]+ 114.06753142 122.6
[M]- 114.06862858 122.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe