CID 84221986

2741206-71-1

Structural Information

Molecular Formula
C4H8N4O
SMILES
C(C1=NOC(=N1)CN)N
InChI
InChI=1S/C4H8N4O/c5-1-3-7-4(2-6)9-8-3/h1-2,5-6H2
InChIKey
DWDUXPSNBYRVIN-UHFFFAOYSA-N
Compound name
[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.06981 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.07709 123.3
[M+Na]+ 151.05903 131.9
[M-H]- 127.06253 124.4
[M+NH4]+ 146.10363 142.2
[M+K]+ 167.03297 131.7
[M+H-H2O]+ 111.06707 116.0
[M+HCOO]- 173.06801 147.6
[M+CH3COO]- 187.08366 173.2
[M+Na-2H]- 149.04448 130.4
[M]+ 128.06926 121.9
[M]- 128.07036 121.9
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.