CID 80484484

1526717-05-4

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C1CC1CC2=NC=C(S2)C(=O)O
InChI
InChI=1S/C8H9NO2S/c10-8(11)6-4-9-7(12-6)3-5-1-2-5/h4-5H,1-3H2,(H,10,11)
InChIKey
HCLQZARDLCZJQU-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethyl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

183.0354 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04268 141.6
[M+Na]+ 206.02462 153.1
[M+NH4]+ 201.06922 150.2
[M+K]+ 221.99856 149.3
[M-H]- 182.02812 149.7
[M+Na-2H]- 204.01007 148.5
[M]+ 183.03485 146.8
[M]- 183.03595 146.8
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