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 147.6
[M+Na]+ 244.08050 159.5
[M+NH4]+ 239.12510 152.8
[M+K]+ 260.05444 157.6
[M-H]- 220.08400 146.3
[M+Na-2H]- 242.06595 151.1
[M]+ 221.09073 148.5
[M]- 221.09183 148.5
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.