CID 125424164

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

Structural Information

Molecular Formula
C5H7BrN2OS
SMILES
COC1=NSC(=C1Br)CN
InChI
InChI=1S/C5H7BrN2OS/c1-9-5-4(6)3(2-7)10-8-5/h2,7H2,1H3
InChIKey
ZVFMVQVMIMQSDW-UHFFFAOYSA-N
Compound name
(4-bromo-3-methoxy-1,2-thiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.94624 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.95352 133.2
[M+Na]+ 244.93546 134.6
[M+NH4]+ 239.98006 138.1
[M+K]+ 260.90940 135.6
[M-H]- 220.93896 133.2
[M+Na-2H]- 242.92091 135.1
[M]+ 221.94569 132.4
[M]- 221.94679 132.4
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.