CID 95520

1,1,2,3,3,5-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
2
Annotation Hits

0
References

114
Patents

202.17215 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.17943 143.3
[M+Na]+ 225.16137 154.4
[M-H]- 201.16487 149.1
[M+NH4]+ 220.20597 170.7
[M+K]+ 241.13531 150.7
[M+H-H2O]+ 185.16941 139.7
[M+HCOO]- 247.17035 165.2
[M+CH3COO]- 261.18600 191.1
[M+Na-2H]- 223.14682 147.9
[M]+ 202.17160 145.6
[M]- 202.17270 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