CID 165916028

Mfcd35250488

Structural Information

Molecular Formula
C7H10N2OS
SMILES
C1CNCC2=C1SC(=N2)CO
InChI
InChI=1S/C7H10N2OS/c10-4-7-9-5-3-8-2-1-6(5)11-7/h8,10H,1-4H2
InChIKey
ZODZSFKQOWXORD-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

170.05139 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05867 133.1
[M+Na]+ 193.04061 141.5
[M-H]- 169.04411 132.3
[M+NH4]+ 188.08521 153.2
[M+K]+ 209.01455 137.8
[M+H-H2O]+ 153.04865 127.6
[M+HCOO]- 215.04959 145.9
[M+CH3COO]- 229.06524 145.2
[M+Na-2H]- 191.02606 136.2
[M]+ 170.05084 130.8
[M]- 170.05194 130.8
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.