CID 86775516

Methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
COC(=O)C1=C(SC(=N1)N)C2CC2
InChI
InChI=1S/C8H10N2O2S/c1-12-7(11)5-6(4-2-3-4)13-8(9)10-5/h4H,2-3H2,1H3,(H2,9,10)
InChIKey
IQHNCTQOKAXUPX-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0463 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.053576 137.9
[M+Na]+ 221.035518 148.5
[M-H]- 197.039024 144.4
[M+NH4]+ 216.080123 153.1
[M+K]+ 237.009458 144.7
[M+H-H2O]+ 181.043560 131.5
[M+HCOO]- 243.044501 157.3
[M+CH3COO]- 257.060151 186.3
[M+Na-2H]- 219.020966 138.7
[M]+ 198.04575142 142.5
[M]- 198.04684858 142.5
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.