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

3
Patents

153.06506 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.072336 130.9
[M+Na]+ 176.054278 140.3
[M-H]- 152.057784 128.6
[M+NH4]+ 171.098883 148.3
[M+K]+ 192.028218 137.2
[M+H-H2O]+ 136.062320 122.9
[M+HCOO]- 198.063261 148.5
[M+CH3COO]- 212.078911 142.8
[M+Na-2H]- 174.039726 137.0
[M]+ 153.06451142 126.1
[M]- 153.06560858 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