CID 136350692

2-amino-4h,5h,6h,7h-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

Structural Information

Molecular Formula
C5H7N5O
SMILES
C1CN2C(=NC(=N2)N)NC1=O
InChI
InChI=1S/C5H7N5O/c6-4-8-5-7-3(11)1-2-10(5)9-4/h1-2H2,(H3,6,7,8,9,11)
InChIKey
VOVSZRNRHGGTJH-UHFFFAOYSA-N
Compound name
2-amino-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

153.06506 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.07234 130.9
[M+Na]+ 176.05428 140.3
[M-H]- 152.05778 128.6
[M+NH4]+ 171.09888 148.3
[M+K]+ 192.02822 137.2
[M+H-H2O]+ 136.06232 122.9
[M+HCOO]- 198.06326 148.5
[M+CH3COO]- 212.07891 142.8
[M+Na-2H]- 174.03973 137.0
[M]+ 153.06451 126.1
[M]- 153.06561 126.1
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

patents stripe