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]+ 144.02262 124.3
[M+Na]+ 166.00456 133.6
[M-H]- 142.00806 127.0
[M+NH4]+ 161.04916 146.2
[M+K]+ 181.97850 131.4
[M+H-H2O]+ 126.01260 118.1
[M+HCOO]- 188.01354 146.3
[M+CH3COO]- 202.02919 173.4
[M+Na-2H]- 163.99001 128.4
[M]+ 143.01479 124.3
[M]- 143.01589 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