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
2
Annotation Hits

0
References

10
Patents

220.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 164.9
[M+Na]+ 243.17193 172.8
[M-H]- 219.17543 172.2
[M+NH4]+ 238.21653 178.3
[M+K]+ 259.14587 175.1
[M+H-H2O]+ 203.17997 160.5
[M+HCOO]- 265.18091 174.0
[M+CH3COO]- 279.19656 174.3
[M+Na-2H]- 241.15738 169.4
[M]+ 220.18216 169.2
[M]- 220.18326 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