CID 118075

1-decyl-3-methylindan

Structural Information

Molecular Formula
C20H32
SMILES
CCCCCCCCCCC1CC(C2=CC=CC=C12)C
InChI
InChI=1S/C20H32/c1-3-4-5-6-7-8-9-10-13-18-16-17(2)19-14-11-12-15-20(18)19/h11-12,14-15,17-18H,3-10,13,16H2,1-2H3
InChIKey
RTYGVBRBJCTRMM-UHFFFAOYSA-N
Compound name
1-decyl-3-methyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 172.9
[M+Na]+ 295.23962 177.8
[M-H]- 271.24312 175.9
[M+NH4]+ 290.28422 192.5
[M+K]+ 311.21356 172.6
[M+H-H2O]+ 255.24766 166.1
[M+HCOO]- 317.24860 192.9
[M+CH3COO]- 331.26425 204.5
[M+Na-2H]- 293.22507 173.2
[M]+ 272.24985 175.4
[M]- 272.25095 175.4
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

No patent data available for this compound.