CID 4739198

(1,3,4-oxadiazol-2-yl)methanamine

Structural Information

Molecular Formula
C3H5N3O
SMILES
C1=NN=C(O1)CN
InChI
InChI=1S/C3H5N3O/c4-1-3-6-5-2-7-3/h2H,1,4H2
InChIKey
FLOHHSLSDRAFET-UHFFFAOYSA-N
Compound name
1,3,4-oxadiazol-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

99.04326 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.05054 114.3
[M+Na]+ 122.03248 123.4
[M-H]- 98.035984 115.7
[M+NH4]+ 117.07708 134.8
[M+K]+ 138.00642 124.0
[M+H-H2O]+ 82.040520 107.5
[M+HCOO]- 144.04146 138.6
[M+CH3COO]- 158.05711 164.7
[M+Na-2H]- 120.01793 123.4
[M]+ 99.042711 114.0
[M]- 99.043809 114.0
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