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

literature stripe

Patent stripe

patents stripe