CID 600264

Wxfvnbkwgukjjx-uhfffaoysa-n

Structural Information

Molecular Formula
C14H22
SMILES
CC1=C(C2C(C2(C)C)C3C1C3(C)C)C
InChI
InChI=1S/C14H22/c1-7-8(2)10-12(14(10,5)6)11-9(7)13(11,3)4/h9-12H,1-6H3
InChIKey
WXFVNBKWGUKJJX-UHFFFAOYSA-N
Compound name
3,3,5,6,8,8-hexamethyltricyclo[5.1.0.02,4]oct-5-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.17215 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.179426 155.5
[M+Na]+ 213.161368 166.2
[M-H]- 189.164874 162.2
[M+NH4]+ 208.205973 169.9
[M+K]+ 229.135308 165.1
[M+H-H2O]+ 173.169410 152.2
[M+HCOO]- 235.170351 170.3
[M+CH3COO]- 249.186001 203.2
[M+Na-2H]- 211.146816 158.9
[M]+ 190.17160142 162.6
[M]- 190.17269858 162.6
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.