CID 119861

1-methyl-3-nonylindan

Structural Information

Molecular Formula
C19H30
SMILES
CCCCCCCCCC1CC(C2=CC=CC=C12)C
InChI
InChI=1S/C19H30/c1-3-4-5-6-7-8-9-12-17-15-16(2)18-13-10-11-14-19(17)18/h10-11,13-14,16-17H,3-9,12,15H2,1-2H3
InChIKey
OJRWTMMDPUZADW-UHFFFAOYSA-N
Compound name
1-methyl-3-nonyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.23474 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.24202 168.2
[M+Na]+ 281.22396 173.6
[M-H]- 257.22746 171.4
[M+NH4]+ 276.26856 188.4
[M+K]+ 297.19790 168.6
[M+H-H2O]+ 241.23200 161.7
[M+HCOO]- 303.23294 188.6
[M+CH3COO]- 317.24859 201.5
[M+Na-2H]- 279.20941 169.1
[M]+ 258.23419 170.4
[M]- 258.23529 170.4
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.