CID 22018843

62658-90-6

Structural Information

Molecular Formula
C7H9NOS
SMILES
CSC1=C(C=CC=N1)CO
InChI
InChI=1S/C7H9NOS/c1-10-7-6(5-9)3-2-4-8-7/h2-4,9H,5H2,1H3
InChIKey
UTKCWZWWIQFORB-UHFFFAOYSA-N
Compound name
(2-methylsulfanylpyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

155.04048 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 128.5
[M+Na]+ 178.02970 137.6
[M-H]- 154.03320 130.1
[M+NH4]+ 173.07430 148.5
[M+K]+ 194.00364 134.6
[M+H-H2O]+ 138.03774 122.8
[M+HCOO]- 200.03868 146.0
[M+CH3COO]- 214.05433 172.3
[M+Na-2H]- 176.01515 133.2
[M]+ 155.03993 130.3
[M]- 155.04103 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe