CID 22130

5856-74-6

Structural Information

Molecular Formula
C10H18O
SMILES
CC1CCC(C2C1O2)C(C)C
InChI
InChI=1S/C10H18O/c1-6(2)8-5-4-7(3)9-10(8)11-9/h6-10H,4-5H2,1-3H3
InChIKey
DVDWHWOVXBYPFH-UHFFFAOYSA-N
Compound name
2-methyl-5-propan-2-yl-7-oxabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

154.13577 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 134.6
[M+Na]+ 177.12499 143.3
[M-H]- 153.12849 140.6
[M+NH4]+ 172.16959 151.2
[M+K]+ 193.09893 142.5
[M+H-H2O]+ 137.13303 128.9
[M+HCOO]- 199.13397 152.7
[M+CH3COO]- 213.14962 183.9
[M+Na-2H]- 175.11044 139.9
[M]+ 154.13522 136.7
[M]- 154.13632 136.7
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

No patent data available for this compound.