CID 62929837

5-(propan-2-yl)-4h,5h,6h,7h-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C10H14N2OS
SMILES
CC(C)N1CCC2=C(C1)SC(=N2)C=O
InChI
InChI=1S/C10H14N2OS/c1-7(2)12-4-3-8-9(5-12)14-10(6-13)11-8/h6-7H,3-5H2,1-2H3
InChIKey
PEVVRSVRQPOUOC-UHFFFAOYSA-N
Compound name
5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.08269 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08997 145.7
[M+Na]+ 233.07191 154.4
[M-H]- 209.07541 147.7
[M+NH4]+ 228.11651 165.7
[M+K]+ 249.04585 151.7
[M+H-H2O]+ 193.07995 139.5
[M+HCOO]- 255.08089 159.5
[M+CH3COO]- 269.09654 185.8
[M+Na-2H]- 231.05736 146.3
[M]+ 210.08214 147.2
[M]- 210.08324 147.2
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.