CID 15063652

1,3-thiazol-4-ylmethanamine

Structural Information

Molecular Formula
C4H6N2S
SMILES
C1=C(N=CS1)CN
InChI
InChI=1S/C4H6N2S/c5-1-4-2-7-3-6-4/h2-3H,1,5H2
InChIKey
YFEQTUUFQKDATK-UHFFFAOYSA-N
Compound name
1,3-thiazol-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

428
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 118.3
[M+Na]+ 137.01439 127.6
[M-H]- 113.01789 120.8
[M+NH4]+ 132.05899 141.6
[M+K]+ 152.98833 125.8
[M+H-H2O]+ 97.022430 112.5
[M+HCOO]- 159.02337 139.1
[M+CH3COO]- 173.03902 167.0
[M+Na-2H]- 134.99984 122.5
[M]+ 114.02462 118.2
[M]- 114.02572 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

literature stripe

Patent stripe

patents stripe