CID 2756507

Thiazol-2-ylmethanamine

Structural Information

Molecular Formula
C4H6N2S
SMILES
C1=CSC(=N1)CN
InChI
InChI=1S/C4H6N2S/c5-3-4-6-1-2-7-4/h1-2H,3,5H2
InChIKey
JOZSYOPADROCMP-UHFFFAOYSA-N
Compound name
1,3-thiazol-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1231
Patents

114.02517 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03245 119.4
[M+Na]+ 137.01439 129.9
[M+NH4]+ 132.05899 128.9
[M+K]+ 152.98833 124.1
[M-H]- 113.01789 121.4
[M+Na-2H]- 134.99984 125.2
[M]+ 114.02462 121.7
[M]- 114.02572 121.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe