CID 165916028

3026715-94-3

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]+ 171.058666 133.1
[M+Na]+ 193.040608 141.5
[M-H]- 169.044114 132.3
[M+NH4]+ 188.085213 153.2
[M+K]+ 209.014548 137.8
[M+H-H2O]+ 153.048650 127.6
[M+HCOO]- 215.049591 145.9
[M+CH3COO]- 229.065241 145.2
[M+Na-2H]- 191.026056 136.2
[M]+ 170.05084142 130.8
[M]- 170.05193858 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

patents stripe