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

2
Patents

165.03607 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04335 134.4
[M+Na]+ 188.02529 145.4
[M-H]- 164.02879 134.9
[M+NH4]+ 183.06989 153.2
[M+K]+ 203.99923 140.9
[M+H-H2O]+ 148.03333 121.7
[M+HCOO]- 210.03427 145.4
[M+CH3COO]- 224.04992 145.6
[M+Na-2H]- 186.01074 137.7
[M]+ 165.03552 127.6
[M]- 165.03662 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