CID 10057507

2-amino-1,3-thiazole-5-carbonitrile

Structural Information

Molecular Formula
C4H3N3S
SMILES
C1=C(SC(=N1)N)C#N
InChI
InChI=1S/C4H3N3S/c5-1-3-2-7-4(6)8-3/h2H,(H2,6,7)
InChIKey
YJTBHWXNEMGNDC-UHFFFAOYSA-N
Compound name
2-amino-1,3-thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

622
Patents

125.00477 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.012046 125.4
[M+Na]+ 147.993988 137.1
[M-H]- 123.997494 128.2
[M+NH4]+ 143.038593 146.1
[M+K]+ 163.967928 135.2
[M+H-H2O]+ 108.002030 112.9
[M+HCOO]- 170.002971 142.4
[M+CH3COO]- 184.018621 182.8
[M+Na-2H]- 145.979436 128.7
[M]+ 125.00422142 120.6
[M]- 125.00531858 120.6
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