CID 28949979

2193067-17-1

Structural Information

Molecular Formula
C4H6N2S
SMILES
C1=C(C=NS1)CN
InChI
InChI=1S/C4H6N2S/c5-1-4-2-6-7-3-4/h2-3H,1,5H2
InChIKey
KJVFHXCHZSQFKA-UHFFFAOYSA-N
Compound name
1,2-thiazol-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
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

No literature data available for this compound.

Patent stripe

patents stripe