CID 10313372

2241140-36-1

Structural Information

Molecular Formula
C9H13N3O
SMILES
CC1=NOC(=N1)C2CC3CCC2N3
InChI
InChI=1S/C9H13N3O/c1-5-10-9(13-12-5)7-4-6-2-3-8(7)11-6/h6-8,11H,2-4H2,1H3
InChIKey
DCXSASGOFIVZCG-UHFFFAOYSA-N
Compound name
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 138.6
[M+Na]+ 202.09509 147.1
[M-H]- 178.09859 140.7
[M+NH4]+ 197.13969 159.5
[M+K]+ 218.06903 146.0
[M+H-H2O]+ 162.10313 132.2
[M+HCOO]- 224.10407 156.2
[M+CH3COO]- 238.11972 151.3
[M+Na-2H]- 200.08054 140.2
[M]+ 179.10532 137.5
[M]- 179.10642 137.5
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.