CID 102993800

1-[1-(1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine hydrochloride

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CC1(CN)C2=NC=NO2
InChI
InChI=1S/C6H9N3O/c7-3-6(1-2-6)5-8-4-9-10-5/h4H,1-3,7H2
InChIKey
XWFOGRSJKBTDTK-UHFFFAOYSA-N
Compound name
[1-(1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.07455 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 129.7
[M+Na]+ 162.063768 140.3
[M-H]- 138.067274 135.2
[M+NH4]+ 157.108373 145.6
[M+K]+ 178.037708 139.4
[M+H-H2O]+ 122.071810 122.9
[M+HCOO]- 184.072751 153.0
[M+CH3COO]- 198.088401 143.6
[M+Na-2H]- 160.049216 138.3
[M]+ 139.07400142 132.1
[M]- 139.07509858 132.1
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.