CID 1713608

60093-16-5

Structural Information

Molecular Formula
C5H8N4S
SMILES
C=CCNC1=NC(=NS1)N
InChI
InChI=1S/C5H8N4S/c1-2-3-7-5-8-4(6)9-10-5/h2H,1,3H2,(H3,6,7,8,9)
InChIKey
MYISXCAAYLVJSC-UHFFFAOYSA-N
Compound name
5-N-prop-2-enyl-1,2,4-thiadiazole-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

156.04697 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05425 129.1
[M+Na]+ 179.03619 138.2
[M-H]- 155.03969 130.3
[M+NH4]+ 174.08079 149.2
[M+K]+ 195.01013 135.2
[M+H-H2O]+ 139.04423 122.1
[M+HCOO]- 201.04517 149.4
[M+CH3COO]- 215.06082 177.8
[M+Na-2H]- 177.02164 132.6
[M]+ 156.04642 128.7
[M]- 156.04752 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe