CID 59057784

Ns00116920

Structural Information

Molecular Formula
C10H16O
SMILES
CC1([C@H]2[C@@H]1CC3(C(C2)O3)C)C
InChI
InChI=1S/C10H16O/c1-9(2)6-4-8-10(3,11-8)5-7(6)9/h6-8H,4-5H2,1-3H3/t6-,7+,8?,10?/m1/s1
InChIKey
AGHSZSJVJPSERC-CCSIGSMKSA-N
Compound name
(1S,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

152.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 119.3
[M+Na]+ 175.10934 133.0
[M+NH4]+ 170.15394 131.9
[M+K]+ 191.08328 128.5
[M-H]- 151.11284 135.3
[M+Na-2H]- 173.09479 131.1
[M]+ 152.11957 128.3
[M]- 152.12067 128.3
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