CID 22994038

Diamino-1,3-thiazole-5-carbonitrile

Structural Information

Molecular Formula
C4H4N4S
SMILES
C(#N)C1=C(N=C(S1)N)N
InChI
InChI=1S/C4H4N4S/c5-1-2-3(6)8-4(7)9-2/h6H2,(H2,7,8)
InChIKey
POMFIGPJQMGOHH-UHFFFAOYSA-N
Compound name
2,4-diamino-1,3-thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

140.01567 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.02295 129.7
[M+Na]+ 163.00489 141.0
[M-H]- 139.00839 132.0
[M+NH4]+ 158.04949 149.3
[M+K]+ 178.97883 139.0
[M+H-H2O]+ 123.01293 116.9
[M+HCOO]- 185.01387 146.7
[M+CH3COO]- 199.02952 187.7
[M+Na-2H]- 160.99034 131.7
[M]+ 140.01512 123.4
[M]- 140.01622 123.4
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