CID 152818

2-amino-4-iminothiazole

Structural Information

Molecular Formula
C3H5N3S
SMILES
C1C(=NC(=N)S1)N
InChI
InChI=1S/C3H5N3S/c4-2-1-7-3(5)6-2/h1H2,(H3,4,5,6)
InChIKey
ZDDYEEAGRWEWJX-UHFFFAOYSA-N
Compound name
2-imino-5H-1,3-thiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

311
Patents

115.02042 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.02770 118.3
[M+Na]+ 138.00964 127.1
[M-H]- 114.01314 120.8
[M+NH4]+ 133.05424 141.2
[M+K]+ 153.98358 124.9
[M+H-H2O]+ 98.017680 112.4
[M+HCOO]- 160.01862 138.9
[M+CH3COO]- 174.03427 169.3
[M+Na-2H]- 135.99509 121.8
[M]+ 115.01987 115.2
[M]- 115.02097 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