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-amino-4-pyridinyl)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]+ 185.074306 137.1
[M+Na]+ 207.056248 144.8
[M-H]- 183.059754 137.7
[M+NH4]+ 202.100853 155.2
[M+K]+ 223.030188 140.9
[M+H-H2O]+ 167.064290 130.7
[M+HCOO]- 229.065231 154.5
[M+CH3COO]- 243.080881 179.5
[M+Na-2H]- 205.041696 140.7
[M]+ 184.06648142 137.4
[M]- 184.06757858 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