CID 44153175

93777-40-3

Structural Information

Molecular Formula
C14H22O
SMILES
CC1CCC2(O1)CC3CC2C4C3CCC4
InChI
InChI=1S/C14H22O/c1-9-5-6-14(15-9)8-10-7-13(14)12-4-2-3-11(10)12/h9-13H,2-8H2,1H3
InChIKey
CYMMPGKBOROHLH-UHFFFAOYSA-N
Compound name
5-methylspiro[oxolane-2,8'-tricyclo[5.2.1.02,6]decane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 154.4
[M+Na]+ 229.156288 161.1
[M-H]- 205.159794 160.9
[M+NH4]+ 224.200893 183.6
[M+K]+ 245.130228 158.6
[M+H-H2O]+ 189.164330 152.1
[M+HCOO]- 251.165271 171.6
[M+CH3COO]- 265.180921 167.1
[M+Na-2H]- 227.141736 153.0
[M]+ 206.16652142 151.4
[M]- 206.16761858 151.4
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.