CID 141615

Thiophene, 2-methoxy-5-methyl-

Structural Information

Molecular Formula
C6H8OS
SMILES
CC1=CC=C(S1)OC
InChI
InChI=1S/C6H8OS/c1-5-3-4-6(7-2)8-5/h3-4H,1-2H3
InChIKey
RULFUZCLYMDADI-UHFFFAOYSA-N
Compound name
2-methoxy-5-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

128.02959 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03687 122.5
[M+Na]+ 151.01881 132.6
[M-H]- 127.02231 127.3
[M+NH4]+ 146.06341 147.6
[M+K]+ 166.99275 131.4
[M+H-H2O]+ 111.02685 118.1
[M+HCOO]- 173.02779 143.8
[M+CH3COO]- 187.04344 169.5
[M+Na-2H]- 149.00426 125.8
[M]+ 128.02904 126.3
[M]- 128.03014 126.3
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