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]+ 223.205636 149.7
[M+Na]+ 245.187578 153.4
[M-H]- 221.191084 155.8
[M+NH4]+ 240.232183 165.4
[M+K]+ 261.161518 155.3
[M+H-H2O]+ 205.195620 142.6
[M+HCOO]- 267.196561 162.1
[M+CH3COO]- 281.212211 196.1
[M+Na-2H]- 243.173026 155.0
[M]+ 222.19781142 151.7
[M]- 222.19890858 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.