CID 28812

17851-27-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

148.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.13248 130.0
[M+Na]+ 171.11442 139.6
[M-H]- 147.11792 134.6
[M+NH4]+ 166.15902 152.6
[M+K]+ 187.08836 137.4
[M+H-H2O]+ 131.12246 125.3
[M+HCOO]- 193.12340 154.1
[M+CH3COO]- 207.13905 180.9
[M+Na-2H]- 169.09987 135.5
[M]+ 148.12465 131.9
[M]- 148.12575 131.9
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.