CID 78062915

Symroxane

Structural Information

Molecular Formula
C16H26O
SMILES
CC1(CC(C=C2C13CCC(C3)C2(C)C)OC)C
InChI
InChI=1S/C16H26O/c1-14(2)10-12(17-5)8-13-15(3,4)11-6-7-16(13,14)9-11/h8,11-12H,6-7,9-10H2,1-5H3
InChIKey
VIHCRGZIINXRHA-UHFFFAOYSA-N
Compound name
4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
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 155.3
[M+Na]+ 257.18758 164.7
[M+NH4]+ 252.23218 169.8
[M+K]+ 273.16152 155.7
[M-H]- 233.19108 157.2
[M+Na-2H]- 255.17303 160.7
[M]+ 234.19781 157.7
[M]- 234.19891 157.7
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

patents stripe