CID 71359569

36749-35-6

Structural Information

Molecular Formula
C7H10ClN5O2
SMILES
CC(C)(C(=O)O)NC1=NC(=NC(=N1)N)Cl
InChI
InChI=1S/C7H10ClN5O2/c1-7(2,3(14)15)13-6-11-4(8)10-5(9)12-6/h1-2H3,(H,14,15)(H3,9,10,11,12,13)
InChIKey
GOVSIGWGHYIRFN-UHFFFAOYSA-N
Compound name
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0523 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05958 149.0
[M+Na]+ 254.04152 157.9
[M-H]- 230.04502 147.6
[M+NH4]+ 249.08612 162.5
[M+K]+ 270.01546 154.2
[M+H-H2O]+ 214.04956 142.1
[M+HCOO]- 276.05050 163.6
[M+CH3COO]- 290.06615 191.1
[M+Na-2H]- 252.02697 155.2
[M]+ 231.05175 148.8
[M]- 231.05285 148.8
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.