CID 4250936

1-methyl-6-oxabicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C6H10O
SMILES
CC12CCCC1O2
InChI
InChI=1S/C6H10O/c1-6-4-2-3-5(6)7-6/h5H,2-4H2,1H3
InChIKey
XMDQJXIEKHMDMG-UHFFFAOYSA-N
Compound name
1-methyl-6-oxabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
Patents

98.073166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 118.3
[M+Na]+ 121.06238 128.7
[M-H]- 97.065890 124.6
[M+NH4]+ 116.10699 140.0
[M+K]+ 137.03632 129.1
[M+H-H2O]+ 81.070426 114.2
[M+HCOO]- 143.07137 140.1
[M+CH3COO]- 157.08702 168.8
[M+Na-2H]- 119.04783 127.7
[M]+ 98.072617 121.1
[M]- 98.073715 121.1
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