CID 72206961

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

Structural Information

Molecular Formula
C7H8BrNOS
SMILES
C1CC1C2=NC(=C(S2)Br)CO
InChI
InChI=1S/C7H8BrNOS/c8-6-5(3-10)9-7(11-6)4-1-2-4/h4,10H,1-3H2
InChIKey
OVCYSIDJQRLXNJ-UHFFFAOYSA-N
Compound name
(5-bromo-2-cyclopropyl-1,3-thiazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.951 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.95828 132.7
[M+Na]+ 255.94022 148.0
[M-H]- 231.94372 141.2
[M+NH4]+ 250.98482 150.8
[M+K]+ 271.91416 135.6
[M+H-H2O]+ 215.94826 132.9
[M+HCOO]- 277.94920 149.7
[M+CH3COO]- 291.96485 185.8
[M+Na-2H]- 253.92567 137.0
[M]+ 232.95045 154.5
[M]- 232.95155 154.5
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