CID 24278

1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene

Structural Information

Molecular Formula
C12H18
SMILES
CC1=C(C2(C1(C(=C2C)C)C)C)C
InChI
InChI=1S/C12H18/c1-7-8(2)12(6)10(4)9(3)11(7,12)5/h1-6H3
InChIKey
RVNQQZMIWZPGNA-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

89
Patents

162.14085 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.148126 134.3
[M+Na]+ 185.130068 144.0
[M-H]- 161.133574 140.8
[M+NH4]+ 180.174673 147.9
[M+K]+ 201.104008 146.7
[M+H-H2O]+ 145.138110 124.8
[M+HCOO]- 207.139051 154.2
[M+CH3COO]- 221.154701 198.0
[M+Na-2H]- 183.115516 140.4
[M]+ 162.14030142 155.4
[M]- 162.14139858 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe