CID 126970839

5-[1-(hydroxyimino)ethyl]-4-methyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C6H9N3OS
SMILES
CC1=C(SC(=N1)N)/C(=N/O)/C
InChI
InChI=1S/C6H9N3OS/c1-3-5(4(2)9-10)11-6(7)8-3/h10H,1-2H3,(H2,7,8)/b9-4+
InChIKey
VHUDTXNSWRDGRC-RUDMXATFSA-N
Compound name
(NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.04663 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.053906 134.2
[M+Na]+ 194.035848 143.2
[M-H]- 170.039354 137.1
[M+NH4]+ 189.080453 155.2
[M+K]+ 210.009788 141.0
[M+H-H2O]+ 154.043890 128.0
[M+HCOO]- 216.044831 154.5
[M+CH3COO]- 230.060481 181.5
[M+Na-2H]- 192.021296 135.5
[M]+ 171.04608142 134.7
[M]- 171.04717858 134.7
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

No patent data available for this compound.