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

13
Patents

114.05416 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.061436 118.7
[M+Na]+ 137.043378 127.8
[M-H]- 113.046884 120.1
[M+NH4]+ 132.087983 138.2
[M+K]+ 153.017318 127.9
[M+H-H2O]+ 97.051420 111.6
[M+HCOO]- 159.052361 143.4
[M+CH3COO]- 173.068011 170.2
[M+Na-2H]- 135.028826 126.4
[M]+ 114.05361142 117.0
[M]- 114.05470858 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