CID 5288557

2-methyl-3-(2-aminothiazolo)propanal

Structural Information

Molecular Formula
C7H10N2OS
SMILES
C[C@@H](CC1=CSC(=N1)N)C=O
InChI
InChI=1S/C7H10N2OS/c1-5(3-10)2-6-4-11-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)/t5-/m0/s1
InChIKey
KFMAJVLZSDMFBV-YFKPBYRVSA-N
Compound name
(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

170.05139 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.058666 135.0
[M+Na]+ 193.040608 143.7
[M-H]- 169.044114 137.5
[M+NH4]+ 188.085213 156.2
[M+K]+ 209.014548 141.4
[M+H-H2O]+ 153.048650 128.9
[M+HCOO]- 215.049591 154.1
[M+CH3COO]- 229.065241 179.0
[M+Na-2H]- 191.026056 136.0
[M]+ 170.05084142 136.4
[M]- 170.05193858 136.4
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