CID 3023779

1-methyl-3-undecylindan

Structural Information

Molecular Formula
C21H34
SMILES
CCCCCCCCCCCC1CC(C2=CC=CC=C12)C
InChI
InChI=1S/C21H34/c1-3-4-5-6-7-8-9-10-11-14-19-17-18(2)20-15-12-13-16-21(19)20/h12-13,15-16,18-19H,3-11,14,17H2,1-2H3
InChIKey
UIMULSDDSCTUGL-UHFFFAOYSA-N
Compound name
1-methyl-3-undecyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.26605 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.273326 177.5
[M+Na]+ 309.255268 182.0
[M-H]- 285.258774 180.3
[M+NH4]+ 304.299873 196.6
[M+K]+ 325.229208 176.5
[M+H-H2O]+ 269.263310 170.6
[M+HCOO]- 331.264251 197.2
[M+CH3COO]- 345.279901 207.5
[M+Na-2H]- 307.240716 177.3
[M]+ 286.26550142 180.4
[M]- 286.26659858 180.4
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