CID 71372509

635283-91-9

Structural Information

Molecular Formula
C6H9ClN4S
SMILES
CN=C(N)NCC1=CN=C(S1)Cl
InChI
InChI=1S/C6H9ClN4S/c1-9-6(8)11-3-4-2-10-5(7)12-4/h2H,3H2,1H3,(H3,8,9,11)
InChIKey
MHIUXKNNQDINSL-UHFFFAOYSA-N
Compound name
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

204.02365 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.030926 142.1
[M+Na]+ 227.012868 150.5
[M-H]- 203.016374 145.8
[M+NH4]+ 222.057473 162.6
[M+K]+ 242.986808 146.8
[M+H-H2O]+ 187.020910 135.6
[M+HCOO]- 249.021851 159.9
[M+CH3COO]- 263.037501 189.0
[M+Na-2H]- 224.998316 144.3
[M]+ 204.02310142 143.5
[M]- 204.02419858 143.5
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