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

7
Annotation Hits: 139
References: 55685
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	118.1
[M+Na]+	121.06238	126.9
[M-H]-	97.065890	124.0
[M+NH4]+	116.10699	136.3
[M+K]+	137.03632	127.0
[M+H-H2O]+	81.070426	112.5
[M+HCOO]-	143.07137	138.6
[M+CH3COO]-	157.08702	169.4
[M+Na-2H]-	119.04783	127.9
[M]+	98.072617	118.6
[M]-	98.073715	118.6

Literature stripe

literature stripe

Patent stripe

patents stripe