CID 119627

27867-36-3

Structural Information

Molecular Formula
C10H16O
SMILES
CC1CC2C(C2(C)C)C3C1O3
InChI
InChI=1S/C10H16O/c1-5-4-6-7(10(6,2)3)9-8(5)11-9/h5-9H,4H2,1-3H3
InChIKey
KNHFDBGGSOSGEO-UHFFFAOYSA-N
Compound name
5,8,8-trimethyl-3-oxatricyclo[5.1.0.02,4]octane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

152.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 147.4
[M+Na]+ 175.109338 157.0
[M-H]- 151.112844 154.3
[M+NH4]+ 170.153943 159.8
[M+K]+ 191.083278 157.2
[M+H-H2O]+ 135.117380 142.6
[M+HCOO]- 197.118321 162.0
[M+CH3COO]- 211.133971 158.5
[M+Na-2H]- 173.094786 152.6
[M]+ 152.11957142 152.8
[M]- 152.12066858 152.8
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