CID 637978

Cyclohexane oxide

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C1CC[C@H]2[C@@H](C1)O2

InChI

InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2/t5-,6+

InChIKey

ZWAJLVLEBYIOTI-OLQVQODUSA-N

Compound name

(1R,6S)-7-oxabicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 139
References: 43452
Patents: 98.073166 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	99.080442	118.4
[M+Na]+	121.06238	131.7
[M+NH4]+	116.10699	129.3
[M+K]+	137.03632	127.1
[M-H]-	97.065890	129.0
[M+Na-2H]-	119.04783	126.4
[M]+	98.072617	124.4
[M]-	98.073715	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe