CID 89260045

5-amino-1,3,4-thiadiazole-2-carbonitrile

Structural Information

Molecular Formula
C3H2N4S
SMILES
C(#N)C1=NN=C(S1)N
InChI
InChI=1S/C3H2N4S/c4-1-2-6-7-3(5)8-2/h(H2,5,7)
InChIKey
YWGJXGCTEPVJNM-UHFFFAOYSA-N
Compound name
5-amino-1,3,4-thiadiazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

126.000015 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.00729 123.0
[M+Na]+ 148.98923 134.7
[M-H]- 124.99274 124.2
[M+NH4]+ 144.03384 142.2
[M+K]+ 164.96317 133.3
[M+H-H2O]+ 108.99728 109.6
[M+HCOO]- 170.99822 139.0
[M+CH3COO]- 185.01387 182.6
[M+Na-2H]- 146.97468 126.6
[M]+ 125.99947 118.1
[M]- 126.00056 118.1
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