CID 5304077

5-(aminomethyl)-1,3-thiazole

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

497
Patents

114.02517 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.032446 118.3
[M+Na]+ 137.014388 127.6
[M-H]- 113.017894 120.8
[M+NH4]+ 132.058993 141.6
[M+K]+ 152.988328 125.8
[M+H-H2O]+ 97.022430 112.5
[M+HCOO]- 159.023371 139.1
[M+CH3COO]- 173.039021 167.0
[M+Na-2H]- 134.999836 122.5
[M]+ 114.02462142 118.2
[M]- 114.02571858 118.2
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