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

6
Patents

145.01974 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.027016 127.3
[M+Na]+ 168.008958 135.6
[M-H]- 144.012464 127.5
[M+NH4]+ 163.053563 148.4
[M+K]+ 183.982898 133.6
[M+H-H2O]+ 128.017000 122.1
[M+HCOO]- 190.017941 143.8
[M+CH3COO]- 204.033591 165.5
[M+Na-2H]- 165.994406 129.6
[M]+ 145.01919142 127.8
[M]- 145.02028858 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