CID 115528769

3017269-70-1

Structural Information

Molecular Formula
C7H7N5O
SMILES
C1=CN=CN=C1C2=NOC(=N2)CN
InChI
InChI=1S/C7H7N5O/c8-3-6-11-7(12-13-6)5-1-2-9-4-10-5/h1-2,4H,3,8H2
InChIKey
GXIMUBOMTKIBSI-UHFFFAOYSA-N
Compound name
(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.06506 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.072336 134.8
[M+Na]+ 200.054278 144.6
[M-H]- 176.057784 136.9
[M+NH4]+ 195.098883 149.2
[M+K]+ 216.028218 142.7
[M+H-H2O]+ 160.062320 125.2
[M+HCOO]- 222.063261 156.5
[M+CH3COO]- 236.078911 147.7
[M+Na-2H]- 198.039726 143.0
[M]+ 177.06451142 134.9
[M]- 177.06560858 134.9
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.