CID 135611801

36576-45-1

Structural Information

Molecular Formula
C7H11N5O3
SMILES
CC(C)(C(=O)O)NC1=NC(=O)NC(=N1)N
InChI
InChI=1S/C7H11N5O3/c1-7(2,3(13)14)12-5-9-4(8)10-6(15)11-5/h1-2H3,(H,13,14)(H4,8,9,10,11,12,15)
InChIKey
QKOJUBFULGSCQS-UHFFFAOYSA-N
Compound name
2-[(2-amino-6-oxo-1H-1,3,5-triazin-4-yl)amino]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

213.08618 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.093456 146.4
[M+Na]+ 236.075398 154.4
[M-H]- 212.078904 143.8
[M+NH4]+ 231.120003 158.9
[M+K]+ 252.049338 151.6
[M+H-H2O]+ 196.083440 139.0
[M+HCOO]- 258.084381 164.4
[M+CH3COO]- 272.100031 186.6
[M+Na-2H]- 234.060846 152.5
[M]+ 213.08563142 143.2
[M]- 213.08672858 143.2
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

No patent data available for this compound.