CID 583876

1,5,6,7-tetramethylbicyclo[3.2.0]hepta-2,6-diene

Structural Information

Molecular Formula
C11H16
SMILES
CC1=C(C2(C1(CC=C2)C)C)C
InChI
InChI=1S/C11H16/c1-8-9(2)11(4)7-5-6-10(8,11)3/h5-6H,7H2,1-4H3
InChIKey
HCAZDRHRQQBBAF-UHFFFAOYSA-N
Compound name
1,5,6,7-tetramethylbicyclo[3.2.0]hepta-2,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.1252 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.132476 130.7
[M+Na]+ 171.114418 140.6
[M-H]- 147.117924 136.7
[M+NH4]+ 166.159023 153.2
[M+K]+ 187.088358 140.6
[M+H-H2O]+ 131.122460 124.1
[M+HCOO]- 193.123401 153.5
[M+CH3COO]- 207.139051 182.3
[M+Na-2H]- 169.099866 137.7
[M]+ 148.12465142 141.9
[M]- 148.12574858 141.9
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.