CID 89532

1h-cycloprop[e]azulene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]-

Structural Information

Molecular Formula
C15H24
SMILES
CC1CCC2=C(CCC3C(C12)C3(C)C)C
InChI
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10,12-14H,5-8H2,1-4H3
InChIKey
WGTRJVCFDUCKCM-UHFFFAOYSA-N
Compound name
1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2715
Patents

204.1878 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 141.6
[M+Na]+ 227.17702 150.0
[M-H]- 203.18052 148.7
[M+NH4]+ 222.22162 160.9
[M+K]+ 243.15096 148.5
[M+H-H2O]+ 187.18506 138.2
[M+HCOO]- 249.18600 158.9
[M+CH3COO]- 263.20165 154.1
[M+Na-2H]- 225.16247 144.6
[M]+ 204.18725 141.0
[M]- 204.18835 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