CID 418092

2,3,4,5-tetramethyl-bicyclo(4.2.0)octa-1(6),2,4-trien-7-ol

Structural Information

Molecular Formula
C12H16O
SMILES
CC1=C(C(=C2C(CC2=C1C)O)C)C
InChI
InChI=1S/C12H16O/c1-6-7(2)9(4)12-10(8(6)3)5-11(12)13/h11,13H,5H2,1-4H3
InChIKey
XTTNGENCQQEHBU-UHFFFAOYSA-N
Compound name
2,3,4,5-tetramethylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12012 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 136.3
[M+Na]+ 199.10934 146.1
[M-H]- 175.11284 140.8
[M+NH4]+ 194.15394 152.0
[M+K]+ 215.08328 146.1
[M+H-H2O]+ 159.11738 127.2
[M+HCOO]- 221.11832 156.6
[M+CH3COO]- 235.13397 188.5
[M+Na-2H]- 197.09479 140.4
[M]+ 176.11957 147.2
[M]- 176.12067 147.2
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

No patent data available for this compound.