CID 19086635

77695-07-9

Structural Information

Molecular Formula
C4H6N4S
SMILES
C=CCNC1=NN=NS1
InChI
InChI=1S/C4H6N4S/c1-2-3-5-4-6-7-8-9-4/h2H,1,3H2,(H,5,6,8)
InChIKey
OJTPXTWMPSNJGT-UHFFFAOYSA-N
Compound name
N-prop-2-enylthiatriazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

142.03131 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.038586 125.2
[M+Na]+ 165.020528 135.0
[M-H]- 141.024034 125.5
[M+NH4]+ 160.065133 145.0
[M+K]+ 180.994468 132.8
[M+H-H2O]+ 125.028570 117.8
[M+HCOO]- 187.029511 144.3
[M+CH3COO]- 201.045161 172.4
[M+Na-2H]- 163.005976 130.2
[M]+ 142.03076142 126.4
[M]- 142.03185858 126.4
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

patents stripe