CID 14964443

2-methylthiophen-3-ol

Structural Information

Molecular Formula
C5H6OS
SMILES
CC1=C(C=CS1)O
InChI
InChI=1S/C5H6OS/c1-4-5(6)2-3-7-4/h2-3,6H,1H3
InChIKey
MELVCTMNNIGRRP-UHFFFAOYSA-N
Compound name
2-methylthiophen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

114.01394 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.02122 118.5
[M+Na]+ 137.00316 128.6
[M-H]- 113.00666 122.0
[M+NH4]+ 132.04776 143.4
[M+K]+ 152.97710 126.7
[M+H-H2O]+ 97.011200 114.5
[M+HCOO]- 159.01214 138.6
[M+CH3COO]- 173.02779 163.8
[M+Na-2H]- 134.98861 121.9
[M]+ 114.01339 120.0
[M]- 114.01449 120.0
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