CID 136086473

Einecs 248-387-7

Structural Information

Molecular Formula
C6H7N5O
SMILES
CC1=CN2C(=NC(=N2)N)NC1=O
InChI
InChI=1S/C6H7N5O/c1-3-2-11-6(8-4(3)12)9-5(7)10-11/h2H,1H3,(H3,7,8,9,10,12)
InChIKey
PXJTYSVQFWJIMQ-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

165.06506 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.072336 131.9
[M+Na]+ 188.054278 145.0
[M-H]- 164.057784 131.1
[M+NH4]+ 183.098883 149.6
[M+K]+ 204.028218 140.8
[M+H-H2O]+ 148.062320 124.4
[M+HCOO]- 210.063261 153.6
[M+CH3COO]- 224.078911 145.5
[M+Na-2H]- 186.039726 139.8
[M]+ 165.06451142 132.3
[M]- 165.06560858 132.3
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