CID 225433

98432-26-9

Structural Information

Molecular Formula
C7H11N3OS
SMILES
CCSC1=NC=C(C(=N1)N)CO
InChI
InChI=1S/C7H11N3OS/c1-2-12-7-9-3-5(4-11)6(8)10-7/h3,11H,2,4H2,1H3,(H2,8,9,10)
InChIKey
AKLCDMLJYNYRJK-UHFFFAOYSA-N
Compound name
(4-amino-2-ethylsulfanylpyrimidin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
Patents

185.06229 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06957 137.3
[M+Na]+ 208.05151 146.4
[M-H]- 184.05501 137.0
[M+NH4]+ 203.09611 154.3
[M+K]+ 224.02545 142.5
[M+H-H2O]+ 168.05955 130.5
[M+HCOO]- 230.06049 153.7
[M+CH3COO]- 244.07614 180.4
[M+Na-2H]- 206.03696 140.7
[M]+ 185.06174 138.1
[M]- 185.06284 138.1
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