CID 56843723

Einecs 298-069-7

Structural Information

Molecular Formula
C14H20O
SMILES
CC1CC2(CC3CC2C4C3CC=C4)OC1
InChI
InChI=1S/C14H20O/c1-9-6-14(15-8-9)7-10-5-13(14)12-4-2-3-11(10)12/h2,4,9-13H,3,5-8H2,1H3
InChIKey
FVPHLRMMPMJDSO-UHFFFAOYSA-N
Compound name
4-methylspiro[oxolane-2,9'-tricyclo[5.2.1.02,6]dec-3-ene]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 152.4
[M+Na]+ 227.140628 160.2
[M-H]- 203.144134 159.3
[M+NH4]+ 222.185233 181.8
[M+K]+ 243.114568 157.5
[M+H-H2O]+ 187.148670 150.1
[M+HCOO]- 249.149611 171.1
[M+CH3COO]- 263.165261 165.7
[M+Na-2H]- 225.126076 152.0
[M]+ 204.15086142 150.9
[M]- 204.15195858 150.9
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.