CID 16302

3,5-diethyltoluene

Structural Information

Molecular Formula
C11H16
SMILES
CCC1=CC(=CC(=C1)C)CC
InChI
InChI=1S/C11H16/c1-4-10-6-9(3)7-11(5-2)8-10/h6-8H,4-5H2,1-3H3
InChIKey
HILAULICMJUOLK-UHFFFAOYSA-N
Compound name
1,3-diethyl-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1895
Patents

148.1252 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.13248 131.1
[M+Na]+ 171.11442 139.6
[M-H]- 147.11792 135.2
[M+NH4]+ 166.15902 153.3
[M+K]+ 187.08836 137.5
[M+H-H2O]+ 131.12246 126.0
[M+HCOO]- 193.12340 155.1
[M+CH3COO]- 207.13905 179.8
[M+Na-2H]- 169.09987 137.1
[M]+ 148.12465 132.6
[M]- 148.12575 132.6
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.