CID 7131626

1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
C1CN(CCC1C(=O)O)C2=NC=CS2
InChI
InChI=1S/C9H12N2O2S/c12-8(13)7-1-4-11(5-2-7)9-10-3-6-14-9/h3,6-7H,1-2,4-5H2,(H,12,13)
InChIKey
RBLAPOMCQIFXCT-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

212.06195 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06923 145.4
[M+Na]+ 235.05117 152.0
[M-H]- 211.05467 148.0
[M+NH4]+ 230.09577 162.8
[M+K]+ 251.02511 149.3
[M+H-H2O]+ 195.05921 138.4
[M+HCOO]- 257.06015 158.5
[M+CH3COO]- 271.07580 179.7
[M+Na-2H]- 233.03662 145.1
[M]+ 212.06140 142.9
[M]- 212.06250 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe