CID 121599333

1-(1,3-thiazol-4-yl)ethane-1,2-diol hydrochloride

Structural Information

Molecular Formula
C5H7NO2S
SMILES
C1=C(N=CS1)C(CO)O
InChI
InChI=1S/C5H7NO2S/c7-1-5(8)4-2-9-3-6-4/h2-3,5,7-8H,1H2
InChIKey
BIPPHLOXPKTPOS-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-4-yl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

145.01974 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.02702 127.3
[M+Na]+ 168.00896 135.6
[M-H]- 144.01246 127.5
[M+NH4]+ 163.05356 148.4
[M+K]+ 183.98290 133.6
[M+H-H2O]+ 128.01700 122.1
[M+HCOO]- 190.01794 143.8
[M+CH3COO]- 204.03359 165.5
[M+Na-2H]- 165.99441 129.6
[M]+ 145.01919 127.8
[M]- 145.02029 127.8
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