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
1
Annotation Hits

0
References

3
Patents

234.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 157.3
[M+Na]+ 257.18758 164.5
[M-H]- 233.19108 163.9
[M+NH4]+ 252.23218 181.7
[M+K]+ 273.16152 161.8
[M+H-H2O]+ 217.19562 153.4
[M+HCOO]- 279.19656 174.2
[M+CH3COO]- 293.21221 169.9
[M+Na-2H]- 255.17303 157.4
[M]+ 234.19781 156.0
[M]- 234.19891 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