CID 104588989

2138169-09-0

Structural Information

Molecular Formula
C8H9N3S2
SMILES
C1=C(SC=N1)CNCC2=CN=CS2
InChI
InChI=1S/C8H9N3S2/c1(7-3-10-5-12-7)9-2-8-4-11-6-13-8/h3-6,9H,1-2H2
InChIKey
ZWEBLZMVHASQJO-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.02379 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.03107 139.6
[M+Na]+ 234.01301 151.0
[M-H]- 210.01651 145.2
[M+NH4]+ 229.05761 160.4
[M+K]+ 249.98695 147.0
[M+H-H2O]+ 194.02105 133.2
[M+HCOO]- 256.02199 157.2
[M+CH3COO]- 270.03764 153.6
[M+Na-2H]- 231.99846 141.4
[M]+ 211.02324 143.7
[M]- 211.02434 143.7
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

No patent data available for this compound.