CID 95278

Dodecahydrotriphenylene

Structural Information

Molecular Formula
C18H24
SMILES
C1CCC2=C3CCCCC3=C4CCCCC4=C2C1
InChI
InChI=1S/C18H24/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H2
InChIKey
ODHYDPYRIQKHCI-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

115
Patents

240.1878 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19508 154.6
[M+Na]+ 263.17702 157.7
[M-H]- 239.18052 158.4
[M+NH4]+ 258.22162 174.5
[M+K]+ 279.15096 152.2
[M+H-H2O]+ 223.18506 146.6
[M+HCOO]- 285.18600 166.6
[M+CH3COO]- 299.20165 164.2
[M+Na-2H]- 261.16247 159.3
[M]+ 240.18725 145.4
[M]- 240.18835 145.4
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