CID 82597979

1-thiazol-4-ylcyclopropanecarboxylic acid

Structural Information

Molecular Formula
C7H7NO2S
SMILES
C1CC1(C2=CSC=N2)C(=O)O
InChI
InChI=1S/C7H7NO2S/c9-6(10)7(1-2-7)5-3-11-4-8-5/h3-4H,1-2H2,(H,9,10)
InChIKey
XKOFNUFGDXCOEB-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.01974 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02702 139.6
[M+Na]+ 192.00896 151.3
[M+NH4]+ 187.05356 149.8
[M+K]+ 207.98290 145.8
[M-H]- 168.01246 147.8
[M+Na-2H]- 189.99441 148.5
[M]+ 169.01919 145.2
[M]- 169.02029 145.2
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.