CID 62468207

1249351-05-0

Structural Information

Molecular Formula
C8H12N2OS
SMILES
C1=CN=C(C=C1CSCCO)N
InChI
InChI=1S/C8H12N2OS/c9-8-5-7(1-2-10-8)6-12-4-3-11/h1-2,5,11H,3-4,6H2,(H2,9,10)
InChIKey
CCHXWGBRUKHJKA-UHFFFAOYSA-N
Compound name
2-[(2-aminopyridin-4-yl)methylsulfanyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

184.06703 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07431 137.1
[M+Na]+ 207.05625 144.8
[M-H]- 183.05975 137.7
[M+NH4]+ 202.10085 155.2
[M+K]+ 223.03019 140.9
[M+H-H2O]+ 167.06429 130.7
[M+HCOO]- 229.06523 154.5
[M+CH3COO]- 243.08088 179.5
[M+Na-2H]- 205.04170 140.7
[M]+ 184.06648 137.4
[M]- 184.06758 137.4
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