CID 55290211

5-(aminomethyl)-1,3,4-oxadiazol-2-amine dihydrochloride

Structural Information

Molecular Formula
C3H6N4O
SMILES
C(C1=NN=C(O1)N)N
InChI
InChI=1S/C3H6N4O/c4-1-2-6-7-3(5)8-2/h1,4H2,(H2,5,7)
InChIKey
ATFIONXPTSCYGR-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

114.05416 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.06144 118.7
[M+Na]+ 137.04338 127.8
[M-H]- 113.04688 120.1
[M+NH4]+ 132.08798 138.2
[M+K]+ 153.01732 127.9
[M+H-H2O]+ 97.051420 111.6
[M+HCOO]- 159.05236 143.4
[M+CH3COO]- 173.06801 170.2
[M+Na-2H]- 135.02883 126.4
[M]+ 114.05361 117.0
[M]- 114.05471 117.0
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