CID 118995

1,3-thiazole-2,4-diamine hydrochloride

Structural Information

Molecular Formula
C3H5N3S
SMILES
C1=C(N=C(S1)N)N
InChI
InChI=1S/C3H5N3S/c4-2-1-7-3(5)6-2/h1H,4H2,(H2,5,6)
InChIKey
WKXCZMFWXZRMEZ-UHFFFAOYSA-N
Compound name
1,3-thiazole-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

792
Patents

115.02042 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.027696 117.2
[M+Na]+ 138.009638 126.8
[M-H]- 114.013144 119.6
[M+NH4]+ 133.054243 140.0
[M+K]+ 153.983578 124.6
[M+H-H2O]+ 98.017680 111.3
[M+HCOO]- 160.018621 138.5
[M+CH3COO]- 174.034271 169.2
[M+Na-2H]- 135.995086 120.8
[M]+ 115.01987142 115.2
[M]- 115.02096858 115.2
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