CID 265620

89180-20-1

Structural Information

Molecular Formula
C5H7N5O2
SMILES
C(C1=NC(=NC(=N1)N)N)C(=O)O
InChI
InChI=1S/C5H7N5O2/c6-4-8-2(1-3(11)12)9-5(7)10-4/h1H2,(H,11,12)(H4,6,7,8,9,10)
InChIKey
OGRURUKWBQLASB-UHFFFAOYSA-N
Compound name
2-(4,6-diamino-1,3,5-triazin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

169.05997 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06725 134.3
[M+Na]+ 192.04919 143.2
[M-H]- 168.05269 132.6
[M+NH4]+ 187.09379 149.1
[M+K]+ 208.02313 140.8
[M+H-H2O]+ 152.05723 126.5
[M+HCOO]- 214.05817 155.2
[M+CH3COO]- 228.07382 180.4
[M+Na-2H]- 190.03464 140.1
[M]+ 169.05942 131.2
[M]- 169.06052 131.2
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

patents stripe