CID 14619932

Ishwarane

Structural Information

Molecular Formula
C15H24
SMILES
CC1CCCC23C1(CC4C(C2)C4(C3)C)C
InChI
InChI=1S/C15H24/c1-10-5-4-6-15-8-12-11(7-14(10,15)3)13(12,2)9-15/h10-12H,4-9H2,1-3H3
InChIKey
XGEWXQPYPMTSBD-UHFFFAOYSA-N
Compound name
5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

123
Patents

204.1878 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.2
[M+Na]+ 227.17702 157.7
[M-H]- 203.18052 152.5
[M+NH4]+ 222.22162 176.0
[M+K]+ 243.15096 153.7
[M+H-H2O]+ 187.18506 144.0
[M+HCOO]- 249.18600 158.6
[M+CH3COO]- 263.20165 160.9
[M+Na-2H]- 225.16247 157.6
[M]+ 204.18725 153.1
[M]- 204.18835 153.1
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.