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]+ 273.257676 172.9
[M+Na]+ 295.239618 177.8
[M-H]- 271.243124 175.9
[M+NH4]+ 290.284223 192.5
[M+K]+ 311.213558 172.6
[M+H-H2O]+ 255.247660 166.1
[M+HCOO]- 317.248601 192.9
[M+CH3COO]- 331.264251 204.5
[M+Na-2H]- 293.225066 173.2
[M]+ 272.24985142 175.4
[M]- 272.25094858 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.