CID 2303651

56010-23-2

Structural Information

Molecular Formula
C4H6N2S
SMILES
CN1C=CSC1=N
InChI
InChI=1S/C4H6N2S/c1-6-2-3-7-4(6)5/h2-3,5H,1H3
InChIKey
YGUHKHFHVUKJQH-UHFFFAOYSA-N
Compound name
3-methyl-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

114.02517 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03245 117.6
[M+Na]+ 137.01439 128.0
[M-H]- 113.01789 121.1
[M+NH4]+ 132.05899 141.5
[M+K]+ 152.98833 126.0
[M+H-H2O]+ 97.022430 112.2
[M+HCOO]- 159.02337 139.1
[M+CH3COO]- 173.03902 167.9
[M+Na-2H]- 134.99984 122.1
[M]+ 114.02462 118.1
[M]- 114.02572 118.1
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