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
3
Annotation Hits

0
References

6
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 156.2
[M+Na]+ 257.18758 165.1
[M-H]- 233.19108 161.0
[M+NH4]+ 252.23218 186.4
[M+K]+ 273.16152 161.1
[M+H-H2O]+ 217.19562 152.6
[M+HCOO]- 279.19656 174.0
[M+CH3COO]- 293.21221 194.8
[M+Na-2H]- 255.17303 159.5
[M]+ 234.19781 157.2
[M]- 234.19891 157.2
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