CID 208411

32090-62-3

Structural Information

Molecular Formula
C6H8ClN5
SMILES
CC1=CC(=NC(=N1)Cl)N=C(N)N
InChI
InChI=1S/C6H8ClN5/c1-3-2-4(12-6(8)9)11-5(7)10-3/h2H,1H3,(H4,8,9,10,11,12)
InChIKey
MULAAJTWZVCWTR-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-methylpyrimidin-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.04683 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05411 138.2
[M+Na]+ 208.03605 147.6
[M-H]- 184.03955 140.2
[M+NH4]+ 203.08065 155.9
[M+K]+ 224.00999 144.1
[M+H-H2O]+ 168.04409 131.2
[M+HCOO]- 230.04503 159.1
[M+CH3COO]- 244.06068 189.2
[M+Na-2H]- 206.02150 144.2
[M]+ 185.04628 137.0
[M]- 185.04738 137.0
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.