CID 28559

17465-58-6

Structural Information

Molecular Formula
C18H26
SMILES
CC1=C2CCC(C2=C(C3=C1CCC3(C)C)C)(C)C
InChI
InChI=1S/C18H26/c1-11-13-7-9-17(3,4)15(13)12(2)16-14(11)8-10-18(16,5)6/h7-10H2,1-6H3
InChIKey
GFNBSFGVTDGSBQ-UHFFFAOYSA-N
Compound name
3,3,4,5,5,8-hexamethyl-1,2,6,7-tetrahydro-s-indacene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.20345 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.210726 157.8
[M+Na]+ 265.192668 168.8
[M-H]- 241.196174 164.3
[M+NH4]+ 260.237273 186.4
[M+K]+ 281.166608 163.5
[M+H-H2O]+ 225.200710 154.3
[M+HCOO]- 287.201651 177.7
[M+CH3COO]- 301.217301 171.8
[M+Na-2H]- 263.178116 159.2
[M]+ 242.20290142 159.5
[M]- 242.20399858 159.5
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.