CID 67256098

1414958-21-6

Structural Information

Molecular Formula
C7H7NO2S
SMILES
C1CC1(C2=NC=CS2)C(=O)O
InChI
InChI=1S/C7H7NO2S/c9-6(10)7(1-2-7)5-8-3-4-11-5/h3-4H,1-2H2,(H,9,10)
InChIKey
ULMHLCGGMJTYML-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

169.01974 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.027016 131.4
[M+Na]+ 192.008958 141.8
[M-H]- 168.012464 136.9
[M+NH4]+ 187.053563 148.9
[M+K]+ 207.982898 139.4
[M+H-H2O]+ 152.017000 126.3
[M+HCOO]- 214.017941 149.2
[M+CH3COO]- 228.033591 175.0
[M+Na-2H]- 189.994406 135.2
[M]+ 169.01919142 135.3
[M]- 169.02028858 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

patents stripe