CID 23509711

2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H9NO2S
SMILES
CC1=C(SC(=N1)C2CC2)C(=O)O
InChI
InChI=1S/C8H9NO2S/c1-4-6(8(10)11)12-7(9-4)5-2-3-5/h5H,2-3H2,1H3,(H,10,11)
InChIKey
PYBUBSXEEWCBEK-UHFFFAOYSA-N
Compound name
2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

183.0354 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04268 134.1
[M+Na]+ 206.02462 145.1
[M-H]- 182.02812 139.9
[M+NH4]+ 201.06922 149.8
[M+K]+ 221.99856 141.2
[M+H-H2O]+ 166.03266 128.2
[M+HCOO]- 228.03360 151.8
[M+CH3COO]- 242.04925 180.5
[M+Na-2H]- 204.01007 134.9
[M]+ 183.03485 138.7
[M]- 183.03595 138.7
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