CID 91354

109119-91-7

Structural Information

Molecular Formula
C15H24
SMILES
CC1CCC2C1C3C(C3(C)C)CCC2=C
InChI
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3
InChIKey
ITYNGVSTWVVPIC-UHFFFAOYSA-N
Compound name
1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

35
References

1756
Patents

204.1878 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 142.3
[M+Na]+ 227.177018 150.1
[M-H]- 203.180524 149.1
[M+NH4]+ 222.221623 161.5
[M+K]+ 243.150958 148.0
[M+H-H2O]+ 187.185060 139.0
[M+HCOO]- 249.186001 158.3
[M+CH3COO]- 263.201651 154.4
[M+Na-2H]- 225.162466 144.5
[M]+ 204.18725142 139.8
[M]- 204.18834858 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.