CID 124252497

[2-(methylamino)-1,3-thiazol-4-yl]methanol

Structural Information

Molecular Formula
C5H8N2OS
SMILES
CNC1=NC(=CS1)CO
InChI
InChI=1S/C5H8N2OS/c1-6-5-7-4(2-8)3-9-5/h3,8H,2H2,1H3,(H,6,7)
InChIKey
DXOYJSZXHRACKA-UHFFFAOYSA-N
Compound name
[2-(methylamino)-1,3-thiazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

144.03574 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.043016 126.1
[M+Na]+ 167.024958 135.2
[M-H]- 143.028464 127.8
[M+NH4]+ 162.069563 148.0
[M+K]+ 182.998898 132.9
[M+H-H2O]+ 127.033000 120.4
[M+HCOO]- 189.033941 145.8
[M+CH3COO]- 203.049591 171.1
[M+Na-2H]- 165.010406 129.8
[M]+ 144.03519142 127.2
[M]- 144.03628858 127.2
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