CID 99856

3h-3a,7-methanoazulene, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, [3ar-(3a.alpha.,4.beta.,7.alpha.)]-

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
4
Annotation Hits

15
References

298
Patents

204.1878 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.4
[M+Na]+ 227.17702 158.7
[M-H]- 203.18052 155.1
[M+NH4]+ 222.22162 179.9
[M+K]+ 243.15096 154.5
[M+H-H2O]+ 187.18506 146.5
[M+HCOO]- 249.18600 168.3
[M+CH3COO]- 263.20165 163.6
[M+Na-2H]- 225.16247 152.7
[M]+ 204.18725 149.1
[M]- 204.18835 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

literature stripe

Patent stripe

patents stripe