CID 4962741

2-{2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetic acid

Structural Information

Molecular Formula
C9H11N5O2
SMILES
CC1=C(C(=NC2=NC(=NN12)N)C)CC(=O)O
InChI
InChI=1S/C9H11N5O2/c1-4-6(3-7(15)16)5(2)14-9(11-4)12-8(10)13-14/h3H2,1-2H3,(H2,10,13)(H,15,16)
InChIKey
GQYINQKBXXAJOP-UHFFFAOYSA-N
Compound name
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09128 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09856 148.6
[M+Na]+ 244.08050 160.7
[M-H]- 220.08400 147.9
[M+NH4]+ 239.12510 164.1
[M+K]+ 260.05444 156.9
[M+H-H2O]+ 204.08854 140.8
[M+HCOO]- 266.08948 168.4
[M+CH3COO]- 280.10513 190.4
[M+Na-2H]- 242.06595 153.1
[M]+ 221.09073 151.2
[M]- 221.09183 151.2
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.