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]+ 155.143046 134.6
[M+Na]+ 177.124988 143.3
[M-H]- 153.128494 140.6
[M+NH4]+ 172.169593 151.2
[M+K]+ 193.098928 142.5
[M+H-H2O]+ 137.133030 128.9
[M+HCOO]- 199.133971 152.7
[M+CH3COO]- 213.149621 183.9
[M+Na-2H]- 175.110436 139.9
[M]+ 154.13522142 136.7
[M]- 154.13631858 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

literature stripe

Patent stripe

patents stripe