CID 95520

1,1,2,3,3,6-hexamethylindan

Structural Information

Molecular Formula
C15H22
SMILES
CC1C(C2=C(C1(C)C)C=C(C=C2)C)(C)C
InChI
InChI=1S/C15H22/c1-10-7-8-12-13(9-10)15(5,6)11(2)14(12,3)4/h7-9,11H,1-6H3
InChIKey
PMJHCUHTUTVMDB-UHFFFAOYSA-N
Compound name
1,1,2,3,3,5-hexamethyl-2H-indene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

139
Patents

202.17215 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.179426 143.3
[M+Na]+ 225.161368 154.4
[M-H]- 201.164874 149.1
[M+NH4]+ 220.205973 170.7
[M+K]+ 241.135308 150.7
[M+H-H2O]+ 185.169410 139.7
[M+HCOO]- 247.170351 165.2
[M+CH3COO]- 261.186001 191.1
[M+Na-2H]- 223.146816 147.9
[M]+ 202.17160142 145.6
[M]- 202.17269858 145.6
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

patents stripe