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-methylsulfanyl-3-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

155.04048 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.047756 128.5
[M+Na]+ 178.029698 137.6
[M-H]- 154.033204 130.1
[M+NH4]+ 173.074303 148.5
[M+K]+ 194.003638 134.6
[M+H-H2O]+ 138.037740 122.8
[M+HCOO]- 200.038681 146.0
[M+CH3COO]- 214.054331 172.3
[M+Na-2H]- 176.015146 133.2
[M]+ 155.03993142 130.3
[M]- 155.04102858 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