CID 13892025

Alloaromadendr-9-ene

Structural Information

Molecular Formula
C15H24
SMILES
CC1CCC2C1C3C(C3(C)C)CC=C2C
InChI
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,10-14H,5,7-8H2,1-4H3
InChIKey
DJAYTQZJAJXFDU-UHFFFAOYSA-N
Compound name
1,1,4,7-tetramethyl-1a,2,4a,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

204.1878 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 141.6
[M+Na]+ 227.177018 150.0
[M-H]- 203.180524 148.7
[M+NH4]+ 222.221623 160.9
[M+K]+ 243.150958 148.5
[M+H-H2O]+ 187.185060 138.2
[M+HCOO]- 249.186001 158.9
[M+CH3COO]- 263.201651 154.1
[M+Na-2H]- 225.162466 144.6
[M]+ 204.18725142 141.0
[M]- 204.18834858 141.0
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