CID 44153939

94087-07-7

Structural Information

Molecular Formula
C15H26O
SMILES
CC1(CCOC2C3CCCCC3C2(C1)C)C
InChI
InChI=1S/C15H26O/c1-14(2)8-9-16-13-11-6-4-5-7-12(11)15(13,3)10-14/h11-13H,4-10H2,1-3H3
InChIKey
FBVVORSCLMYLCQ-UHFFFAOYSA-N
Compound name
1,12,12-trimethyl-9-oxatricyclo[6.5.0.02,7]tridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 149.7
[M+Na]+ 245.18758 153.4
[M-H]- 221.19108 155.8
[M+NH4]+ 240.23218 165.4
[M+K]+ 261.16152 155.3
[M+H-H2O]+ 205.19562 142.6
[M+HCOO]- 267.19656 162.1
[M+CH3COO]- 281.21221 196.1
[M+Na-2H]- 243.17303 155.0
[M]+ 222.19781 151.7
[M]- 222.19891 151.7
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.