CID 15063652

16188-30-0

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

326
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