CID 520990

2-ethyl-5-methylthiophene

Structural Information

Molecular Formula
C7H10S
SMILES
CCC1=CC=C(S1)C
InChI
InChI=1S/C7H10S/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3
InChIKey
VOIVNYVBGCJFRW-UHFFFAOYSA-N
Compound name
2-ethyl-5-methylthiophene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

500
Patents

126.05032 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05760 123.3
[M+Na]+ 149.03954 133.1
[M-H]- 125.04304 127.9
[M+NH4]+ 144.08414 148.5
[M+K]+ 165.01348 131.3
[M+H-H2O]+ 109.04758 118.9
[M+HCOO]- 171.04852 144.0
[M+CH3COO]- 185.06417 170.7
[M+Na-2H]- 147.02499 126.0
[M]+ 126.04977 126.0
[M]- 126.05087 126.0
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