CID 137577

2-methoxythioanisole

Structural Information

Molecular Formula
C8H10OS
SMILES
COC1=CC=CC=C1SC
InChI
InChI=1S/C8H10OS/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
InChIKey
YCUXDIFPTHNTSR-UHFFFAOYSA-N
Compound name
1-methoxy-2-methylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
Patents

154.04524 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05252 128.2
[M+Na]+ 177.03446 137.2
[M-H]- 153.03796 132.6
[M+NH4]+ 172.07906 150.3
[M+K]+ 193.00840 135.2
[M+H-H2O]+ 137.04250 122.9
[M+HCOO]- 199.04344 148.1
[M+CH3COO]- 213.05909 175.4
[M+Na-2H]- 175.01991 132.9
[M]+ 154.04469 131.7
[M]- 154.04579 131.7
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