CID 538896

Spiro-1-(cyclohex-2-ene)-2'-(5'-oxabicyclo[2.1.0]pentane), 1',4',2,6,6-pentamethyl-

Structural Information

Molecular Formula
C14H22O
SMILES
CC1=CCCC(C12CC3(C2(O3)C)C)(C)C
InChI
InChI=1S/C14H22O/c1-10-7-6-8-11(2,3)14(10)9-12(4)13(14,5)15-12/h7H,6,8-9H2,1-5H3
InChIKey
VWRLEYGMSWVWBQ-UHFFFAOYSA-N
Compound name
1,1',4,5',5'-pentamethylspiro[5-oxabicyclo[2.1.0]pentane-2,6'-cyclohexene]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 148.0
[M+Na]+ 229.156288 158.4
[M-H]- 205.159794 157.2
[M+NH4]+ 224.200893 164.5
[M+K]+ 245.130228 161.9
[M+H-H2O]+ 189.164330 142.1
[M+HCOO]- 251.165271 164.0
[M+CH3COO]- 265.180921 195.2
[M+Na-2H]- 227.141736 157.1
[M]+ 206.16652142 161.4
[M]- 206.16761858 161.4
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

No patent data available for this compound.