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]+ 143.03859 125.2
[M+Na]+ 165.02053 135.0
[M-H]- 141.02403 125.5
[M+NH4]+ 160.06513 145.0
[M+K]+ 180.99447 132.8
[M+H-H2O]+ 125.02857 117.8
[M+HCOO]- 187.02951 144.3
[M+CH3COO]- 201.04516 172.4
[M+Na-2H]- 163.00598 130.2
[M]+ 142.03076 126.4
[M]- 142.03186 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