CID 28064907

1082420-52-7

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CC1C2=NC(=NO2)CN
InChI
InChI=1S/C6H9N3O/c7-3-5-8-6(10-9-5)4-1-2-4/h4H,1-3,7H2
InChIKey
OHHMKIRNPAHPPV-UHFFFAOYSA-N
Compound name
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

139.07455 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 130.1
[M+Na]+ 162.06377 140.9
[M-H]- 138.06727 135.7
[M+NH4]+ 157.10837 144.4
[M+K]+ 178.03771 138.9
[M+H-H2O]+ 122.07181 122.5
[M+HCOO]- 184.07275 153.7
[M+CH3COO]- 198.08840 177.1
[M+Na-2H]- 160.04922 136.9
[M]+ 139.07400 132.4
[M]- 139.07510 132.4
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