CID 74531

2,3,5-trimethylthiophene

Structural Information

Molecular Formula
C7H10S
SMILES
CC1=CC(=C(S1)C)C
InChI
InChI=1S/C7H10S/c1-5-4-6(2)8-7(5)3/h4H,1-3H3
InChIKey
QKZJQIHBRCFDGQ-UHFFFAOYSA-N
Compound name
2,3,5-trimethylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

755
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 124.9
[M+Na]+ 149.03954 137.4
[M+NH4]+ 144.08414 135.5
[M+K]+ 165.01348 130.3
[M-H]- 125.04304 127.8
[M+Na-2H]- 147.02499 130.7
[M]+ 126.04977 128.1
[M]- 126.05087 128.1
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