CID 521504

2-butyl-5-ethylthiophene

Structural Information

Molecular Formula
C10H16S
SMILES
CCCCC1=CC=C(S1)CC
InChI
InChI=1S/C10H16S/c1-3-5-6-10-8-7-9(4-2)11-10/h7-8H,3-6H2,1-2H3
InChIKey
ORAPMLHUSQJCQH-UHFFFAOYSA-N
Compound name
2-butyl-5-ethylthiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

168.09727 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10455 137.0
[M+Na]+ 191.08649 145.5
[M-H]- 167.08999 141.0
[M+NH4]+ 186.13109 160.5
[M+K]+ 207.06043 142.9
[M+H-H2O]+ 151.09453 131.9
[M+HCOO]- 213.09547 156.7
[M+CH3COO]- 227.11112 179.7
[M+Na-2H]- 189.07194 138.2
[M]+ 168.09672 140.8
[M]- 168.09782 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe