CID 3437714

Methylcyclopentadiene dimer

Structural Information

Molecular Formula
C12H16
SMILES
CC1=CC2C3CC(C2C1)C=C3C
InChI
InChI=1S/C12H16/c1-7-3-11-9-5-8(2)10(6-9)12(11)4-7/h4-5,9-12H,3,6H2,1-2H3
InChIKey
IYQYZZHQSZMZIG-UHFFFAOYSA-N
Compound name
4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1037
Patents

160.1252 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13248 134.6
[M+Na]+ 183.11442 145.0
[M+NH4]+ 178.15902 146.0
[M+K]+ 199.08836 143.2
[M-H]- 159.11792 136.5
[M+Na-2H]- 181.09987 136.5
[M]+ 160.12465 136.6
[M]- 160.12575 136.6
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