CID 511749

Chembl315649

Structural Information

Molecular Formula
C12H16N2OS
SMILES
CC1=CC=CC2=NC=C(N12)CSCC(C)O
InChI
InChI=1S/C12H16N2OS/c1-9-4-3-5-12-13-6-11(14(9)12)8-16-7-10(2)15/h3-6,10,15H,7-8H2,1-2H3
InChIKey
KXPRDIURWPGDOT-UHFFFAOYSA-N
Compound name
1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.09833 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10561 151.8
[M+Na]+ 259.08755 162.0
[M-H]- 235.09105 153.2
[M+NH4]+ 254.13215 170.4
[M+K]+ 275.06149 157.7
[M+H-H2O]+ 219.09559 145.4
[M+HCOO]- 281.09653 167.6
[M+CH3COO]- 295.11218 189.1
[M+Na-2H]- 257.07300 153.8
[M]+ 236.09778 157.0
[M]- 236.09888 157.0
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

No patent data available for this compound.