CID 96739060

1509873-24-8

Structural Information

Molecular Formula
C7H7NO2S
SMILES
C1CC1(C2=CN=CS2)C(=O)O
InChI
InChI=1S/C7H7NO2S/c9-6(10)7(1-2-7)5-3-8-4-11-5/h3-4H,1-2H2,(H,9,10)
InChIKey
IMFRNNPCGFBGKW-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-5-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 131.4
[M+Na]+ 192.00896 141.8
[M-H]- 168.01246 136.9
[M+NH4]+ 187.05356 148.9
[M+K]+ 207.98290 139.4
[M+H-H2O]+ 152.01700 126.3
[M+HCOO]- 214.01794 149.2
[M+CH3COO]- 228.03359 175.0
[M+Na-2H]- 189.99441 135.2
[M]+ 169.01919 135.3
[M]- 169.02029 135.3
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.