CID 21139043

2551119-82-3

Structural Information

Molecular Formula

C₇H₁₀N₂S

SMILES

CC1=NC2=C(S1)CCNC2

InChI

InChI=1S/C7H10N2S/c1-5-9-6-4-8-3-2-7(6)10-5/h8H,2-4H2,1H3

InChIKey

OZQKNNISCLTUGD-UHFFFAOYSA-N

Compound name

2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 154.05647 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.063746	129.6
[M+Na]+	177.045688	138.6
[M-H]-	153.049194	130.3
[M+NH4]+	172.090293	151.2
[M+K]+	193.019628	135.4
[M+H-H2O]+	137.053730	123.9
[M+HCOO]-	199.054671	143.7
[M+CH3COO]-	213.070321	142.6
[M+Na-2H]-	175.031136	133.0
[M]+	154.05592142	127.7
[M]-	154.05701858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe