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

4
Patents

232.951 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.958276 132.7
[M+Na]+ 255.940218 148.0
[M-H]- 231.943724 141.2
[M+NH4]+ 250.984823 150.8
[M+K]+ 271.914158 135.6
[M+H-H2O]+ 215.948260 132.9
[M+HCOO]- 277.949201 149.7
[M+CH3COO]- 291.964851 185.8
[M+Na-2H]- 253.925666 137.0
[M]+ 232.95045142 154.5
[M]- 232.95154858 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