CID 7275

1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1C(O1)C2CCC3(C(C2)O3)C
InChI
InChI=1S/C10H16O2/c1-6-9(11-6)7-3-4-10(2)8(5-7)12-10/h6-9H,3-5H2,1-2H3
InChIKey
YIEDFHHVUWKOEV-UHFFFAOYSA-N
Compound name
1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

168.11504 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 148.0
[M+Na]+ 191.104258 156.2
[M-H]- 167.107764 157.2
[M+NH4]+ 186.148863 157.7
[M+K]+ 207.078198 158.9
[M+H-H2O]+ 151.112300 142.5
[M+HCOO]- 213.113241 162.6
[M+CH3COO]- 227.128891 159.0
[M+Na-2H]- 189.089706 153.7
[M]+ 168.11449142 153.0
[M]- 168.11558858 153.0
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

patents stripe