CID 172922

Einecs 276-096-5

Structural Information

Molecular Formula
C16H26O
SMILES
CC1CC(=CC(O1)C2C3CCC(C3)C2(C)C)C
InChI
InChI=1S/C16H26O/c1-10-7-11(2)17-14(8-10)15-12-5-6-13(9-12)16(15,3)4/h8,11-15H,5-7,9H2,1-4H3
InChIKey
ROVCYTFOTIPNGX-UHFFFAOYSA-N
Compound name
6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,4-dimethyl-3,6-dihydro-2H-pyran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

234.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 157.3
[M+Na]+ 257.187578 164.5
[M-H]- 233.191084 163.9
[M+NH4]+ 252.232183 181.7
[M+K]+ 273.161518 161.8
[M+H-H2O]+ 217.195620 153.4
[M+HCOO]- 279.196561 174.2
[M+CH3COO]- 293.212211 169.9
[M+Na-2H]- 255.173026 157.4
[M]+ 234.19781142 156.0
[M]- 234.19890858 156.0
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

patents stripe