CID 136946

1206-79-7

Structural Information

Molecular Formula
C15H18
SMILES
C1CC2=C3CCCC3=C4CCCC4=C2C1
InChI
InChI=1S/C15H18/c1-4-10-11(5-1)13-7-3-9-15(13)14-8-2-6-12(10)14/h1-9H2
InChIKey
KVUKOIJTLDNDDB-UHFFFAOYSA-N
Compound name
2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[e]-as-indacene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

198.14085 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.148126 148.6
[M+Na]+ 221.130068 156.2
[M-H]- 197.133574 154.8
[M+NH4]+ 216.174673 176.2
[M+K]+ 237.104008 151.5
[M+H-H2O]+ 181.138110 144.3
[M+HCOO]- 243.139051 168.6
[M+CH3COO]- 257.154701 161.8
[M+Na-2H]- 219.115516 149.3
[M]+ 198.14030142 145.7
[M]- 198.14139858 145.7
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