CID 3054951

1-methyl-5-phenylindan

Structural Information

Molecular Formula
C16H16
SMILES
CC1CCC2=C1C=CC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H16/c1-12-7-8-15-11-14(9-10-16(12)15)13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3
InChIKey
HYACLZWJAWSGFH-UHFFFAOYSA-N
Compound name
1-methyl-5-phenyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

208.1252 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13248 146.6
[M+Na]+ 231.11442 154.7
[M-H]- 207.11792 154.3
[M+NH4]+ 226.15902 168.5
[M+K]+ 247.08836 149.9
[M+H-H2O]+ 191.12246 140.1
[M+HCOO]- 253.12340 169.6
[M+CH3COO]- 267.13905 160.2
[M+Na-2H]- 229.09987 151.5
[M]+ 208.12465 145.3
[M]- 208.12575 145.3
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