CID 83385280

4h,5h,6h,7h-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile hydrochloride

Structural Information

Molecular Formula
C7H7N3S
SMILES
C1CNCC2=C1N=C(S2)C#N
InChI
InChI=1S/C7H7N3S/c8-3-7-10-5-1-2-9-4-6(5)11-7/h9H,1-2,4H2
InChIKey
RZAXDVJWFCKLJM-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

165.03607 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.043346 134.4
[M+Na]+ 188.025288 145.4
[M-H]- 164.028794 134.9
[M+NH4]+ 183.069893 153.2
[M+K]+ 203.999228 140.9
[M+H-H2O]+ 148.033330 121.7
[M+HCOO]- 210.034271 145.4
[M+CH3COO]- 224.049921 145.6
[M+Na-2H]- 186.010736 137.7
[M]+ 165.03552142 127.6
[M]- 165.03661858 127.6
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