CID 5304077

Thiazol-5-ylmethanamine

Structural Information

Molecular Formula
C4H6N2S
SMILES
C1=C(SC=N1)CN
InChI
InChI=1S/C4H6N2S/c5-1-4-2-6-3-7-4/h2-3H,1,5H2
InChIKey
XDNQVUAKCAPBIG-UHFFFAOYSA-N
Compound name
1,3-thiazol-5-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

375
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

No literature data available for this compound.

Patent stripe

patents stripe