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]+ 172.05391 134.2
[M+Na]+ 194.03585 143.2
[M-H]- 170.03935 137.1
[M+NH4]+ 189.08045 155.2
[M+K]+ 210.00979 141.0
[M+H-H2O]+ 154.04389 128.0
[M+HCOO]- 216.04483 154.5
[M+CH3COO]- 230.06048 181.5
[M+Na-2H]- 192.02130 135.5
[M]+ 171.04608 134.7
[M]- 171.04718 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.