CID 115528769

Mfcd35251266

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]+ 178.07234 134.8
[M+Na]+ 200.05428 144.6
[M-H]- 176.05778 136.9
[M+NH4]+ 195.09888 149.2
[M+K]+ 216.02822 142.7
[M+H-H2O]+ 160.06232 125.2
[M+HCOO]- 222.06326 156.5
[M+CH3COO]- 236.07891 147.7
[M+Na-2H]- 198.03973 143.0
[M]+ 177.06451 134.9
[M]- 177.06561 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.