CID 71303883

2137804-12-5

Structural Information

Molecular Formula
C12H16N2O4S
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(S2)C(=O)O
InChI
InChI=1S/C12H16N2O4S/c1-12(2,3)18-11(17)14-5-4-8-7(6-14)13-9(19-8)10(15)16/h4-6H2,1-3H3,(H,15,16)
InChIKey
KJGIYQHOOUSNTN-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.08307 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09035 164.9
[M+Na]+ 307.07229 172.0
[M-H]- 283.07579 165.5
[M+NH4]+ 302.11689 181.0
[M+K]+ 323.04623 170.1
[M+H-H2O]+ 267.08033 159.4
[M+HCOO]- 329.08127 174.8
[M+CH3COO]- 343.09692 194.0
[M+Na-2H]- 305.05774 164.9
[M]+ 284.08252 167.5
[M]- 284.08362 167.5
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.