CID 16768470

5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
CC1=NSC(=C1C(=O)O)NC2CC2
InChI
InChI=1S/C8H10N2O2S/c1-4-6(8(11)12)7(13-10-4)9-5-2-3-5/h5,9H,2-3H2,1H3,(H,11,12)
InChIKey
KKSGNJMNLUYXQP-UHFFFAOYSA-N
Compound name
5-(cyclopropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

198.0463 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 136.6
[M+Na]+ 221.03552 146.7
[M-H]- 197.03902 142.3
[M+NH4]+ 216.08012 151.4
[M+K]+ 237.00946 142.4
[M+H-H2O]+ 181.04356 130.5
[M+HCOO]- 243.04450 155.3
[M+CH3COO]- 257.06015 185.2
[M+Na-2H]- 219.02097 138.1
[M]+ 198.04575 140.5
[M]- 198.04685 140.5
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

patents stripe