CID 15710

Thiophene, 2,3,4-trimethyl-

Structural Information

Molecular Formula
C7H10S
SMILES
CC1=CSC(=C1C)C
InChI
InChI=1S/C7H10S/c1-5-4-8-7(3)6(5)2/h4H,1-3H3
InChIKey
MAVVDCDMBKFUES-UHFFFAOYSA-N
Compound name
2,3,4-trimethylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

632
Patents

126.05032 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05760 122.3
[M+Na]+ 149.03954 132.9
[M-H]- 125.04304 127.3
[M+NH4]+ 144.08414 147.8
[M+K]+ 165.01348 131.1
[M+H-H2O]+ 109.04758 118.2
[M+HCOO]- 171.04852 143.0
[M+CH3COO]- 185.06417 171.7
[M+Na-2H]- 147.02499 124.5
[M]+ 126.04977 125.4
[M]- 126.05087 125.4
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