CID 84108615

1784449-61-1

Structural Information

Molecular Formula
C7H7NO2S
SMILES
C1CC1C2=CC(=NS2)C(=O)O
InChI
InChI=1S/C7H7NO2S/c9-7(10)5-3-6(11-8-5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChIKey
AHJUCAOYRUEBPE-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1,2-thiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.01974 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02702 137.8
[M+Na]+ 192.00896 149.6
[M+NH4]+ 187.05356 146.6
[M+K]+ 207.98290 146.0
[M-H]- 168.01246 146.0
[M+Na-2H]- 189.99441 145.0
[M]+ 169.01919 143.2
[M]- 169.02029 143.2
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.