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]+ 206.958596 127.1
[M+Na]+ 228.940538 141.3
[M-H]- 204.944044 132.9
[M+NH4]+ 223.985143 151.0
[M+K]+ 244.914478 129.6
[M+H-H2O]+ 188.948580 127.3
[M+HCOO]- 250.949521 145.5
[M+CH3COO]- 264.965171 182.8
[M+Na-2H]- 226.925986 131.5
[M]+ 205.95077142 146.6
[M]- 205.95186858 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.