CID 50989696

5-[(hydroxyimino)methyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C4H5N3OS
SMILES
C1=C(SC(=N1)N)/C=N/O
InChI
InChI=1S/C4H5N3OS/c5-4-6-1-3(9-4)2-7-8/h1-2,8H,(H2,5,6)/b7-2+
InChIKey
KUSDDQWDRVAMBR-FARCUNLSSA-N
Compound name
(NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

143.01534 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.022616 124.3
[M+Na]+ 166.004558 133.6
[M-H]- 142.008064 127.0
[M+NH4]+ 161.049163 146.2
[M+K]+ 181.978498 131.4
[M+H-H2O]+ 126.012600 118.1
[M+HCOO]- 188.013541 146.3
[M+CH3COO]- 202.029191 173.4
[M+Na-2H]- 163.990006 128.4
[M]+ 143.01479142 124.3
[M]- 143.01588858 124.3
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