CID 111446

Einecs 272-995-1

Structural Information

Molecular Formula
C15H24O
SMILES
CC1CCC2C3(C1(C4C(C4(C)C)CC3)C)O2
InChI
InChI=1S/C15H24O/c1-9-5-6-11-15(16-11)8-7-10-12(13(10,2)3)14(9,15)4/h9-12H,5-8H2,1-4H3
InChIKey
UYPPHUAQDGUVKN-UHFFFAOYSA-N
Compound name
6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

220.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 164.9
[M+Na]+ 243.171928 172.8
[M-H]- 219.175434 172.2
[M+NH4]+ 238.216533 178.3
[M+K]+ 259.145868 175.1
[M+H-H2O]+ 203.179970 160.5
[M+HCOO]- 265.180911 174.0
[M+CH3COO]- 279.196561 174.3
[M+Na-2H]- 241.157376 169.4
[M]+ 220.18216142 169.2
[M]- 220.18325858 169.2
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