CID 83687752

1506302-09-5

Structural Information

Molecular Formula
C5H7BrN2S
SMILES
CC1=C(N=C(S1)CN)Br
InChI
InChI=1S/C5H7BrN2S/c1-3-5(6)8-4(2-7)9-3/h2,7H2,1H3
InChIKey
LUSCMBCZMUMXAA-UHFFFAOYSA-N
Compound name
(4-bromo-5-methyl-1,3-thiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.95132 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.95860 127.1
[M+Na]+ 228.94054 141.3
[M-H]- 204.94404 132.9
[M+NH4]+ 223.98514 151.0
[M+K]+ 244.91448 129.6
[M+H-H2O]+ 188.94858 127.3
[M+HCOO]- 250.94952 145.5
[M+CH3COO]- 264.96517 182.8
[M+Na-2H]- 226.92599 131.5
[M]+ 205.95077 146.6
[M]- 205.95187 146.6
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.