CID 64623465

5-bromo-n-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C6H8BrN3S
SMILES
C1CC1CNC2=NN=C(S2)Br
InChI
InChI=1S/C6H8BrN3S/c7-5-9-10-6(11-5)8-3-4-1-2-4/h4H,1-3H2,(H,8,10)
InChIKey
HDRGZTULFIOWSE-UHFFFAOYSA-N
Compound name
5-bromo-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.96223 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.96951 133.2
[M+Na]+ 255.95145 147.9
[M-H]- 231.95495 141.3
[M+NH4]+ 250.99605 150.2
[M+K]+ 271.92539 135.5
[M+H-H2O]+ 215.95949 132.0
[M+HCOO]- 277.96043 151.6
[M+CH3COO]- 291.97608 148.5
[M+Na-2H]- 253.93690 139.1
[M]+ 232.96168 154.3
[M]- 232.96278 154.3
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.