CID 2752903

6590-47-2

Structural Information

Molecular Formula
C12H16
SMILES
CC1=C(C(=C2CCC2=C1C)C)C
InChI
InChI=1S/C12H16/c1-7-8(2)10(4)12-6-5-11(12)9(7)3/h5-6H2,1-4H3
InChIKey
BTTXMGUWIGYGNH-UHFFFAOYSA-N
Compound name
2,3,4,5-tetramethylbicyclo[4.2.0]octa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.1252 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13248 131.4
[M+Na]+ 183.11442 141.1
[M-H]- 159.11792 137.1
[M+NH4]+ 178.15902 148.4
[M+K]+ 199.08836 141.4
[M+H-H2O]+ 143.12246 122.2
[M+HCOO]- 205.12340 153.2
[M+CH3COO]- 219.13905 188.0
[M+Na-2H]- 181.09987 137.0
[M]+ 160.12465 142.5
[M]- 160.12575 142.5
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.