CID 3020951

1-methyl-3-pentylindan

Structural Information

Molecular Formula
C15H22
SMILES
CCCCCC1CC(C2=CC=CC=C12)C
InChI
InChI=1S/C15H22/c1-3-4-5-8-13-11-12(2)14-9-6-7-10-15(13)14/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3
InChIKey
WYJGPGQXRYNHKF-UHFFFAOYSA-N
Compound name
1-methyl-3-pentyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.17215 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.179426 149.3
[M+Na]+ 225.161368 156.5
[M-H]- 201.164874 153.4
[M+NH4]+ 220.205973 171.9
[M+K]+ 241.135308 152.6
[M+H-H2O]+ 185.169410 143.7
[M+HCOO]- 247.170351 171.1
[M+CH3COO]- 261.186001 189.5
[M+Na-2H]- 223.146816 152.5
[M]+ 202.17160142 150.2
[M]- 202.17269858 150.2
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.