CID 99856

1,4,9,9-tetramethyl-2,4,5,6,7,8-hexahydro-3h-3a,7-methanoazulene

Structural Information

Molecular Formula
C15H24
SMILES
CC1CCC2CC3=C(CCC13C2(C)C)C
InChI
InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3
InChIKey
RTBLDXVIGWSICW-UHFFFAOYSA-N
Compound name
4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

273
Patents

204.1878 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 150.4
[M+Na]+ 227.177018 158.7
[M-H]- 203.180524 155.1
[M+NH4]+ 222.221623 179.9
[M+K]+ 243.150958 154.5
[M+H-H2O]+ 187.185060 146.5
[M+HCOO]- 249.186001 168.3
[M+CH3COO]- 263.201651 163.6
[M+Na-2H]- 225.162466 152.7
[M]+ 204.18725142 149.1
[M]- 204.18834858 149.1
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.