CID 122164249

(4-bromo-3-methoxy-1,2-thiazol-5-yl)methanol

Structural Information

Molecular Formula
C5H6BrNO2S
SMILES
COC1=NSC(=C1Br)CO
InChI
InChI=1S/C5H6BrNO2S/c1-9-5-4(6)3(2-8)10-7-5/h8H,2H2,1H3
InChIKey
NPDFXLRLRGTZBW-UHFFFAOYSA-N
Compound name
(4-bromo-3-methoxy-1,2-thiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.93027 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.93755 129.5
[M+Na]+ 245.91949 143.8
[M-H]- 221.92299 134.6
[M+NH4]+ 240.96409 152.6
[M+K]+ 261.89343 133.0
[M+H-H2O]+ 205.92753 130.4
[M+HCOO]- 267.92847 146.6
[M+CH3COO]- 281.94412 180.2
[M+Na-2H]- 243.90494 134.2
[M]+ 222.92972 151.7
[M]- 222.93082 151.7
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.