CID 19793

1-phenyl-1,3,3-trimethylindan

Structural Information

Molecular Formula
C18H20
SMILES
CC1(CC(C2=CC=CC=C21)(C)C3=CC=CC=C3)C
InChI
InChI=1S/C18H20/c1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,13H2,1-3H3
InChIKey
ICLPNZMYHDVKKI-UHFFFAOYSA-N
Compound name
1,1,3-trimethyl-3-phenyl-2H-indene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1096
Patents

236.1565 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.16378 155.7
[M+Na]+ 259.14572 165.2
[M-H]- 235.14922 164.0
[M+NH4]+ 254.19032 180.6
[M+K]+ 275.11966 160.0
[M+H-H2O]+ 219.15376 149.3
[M+HCOO]- 281.15470 178.2
[M+CH3COO]- 295.17035 169.4
[M+Na-2H]- 257.13117 161.5
[M]+ 236.15595 155.7
[M]- 236.15705 155.7
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