CID 163342298

3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine

Structural Information

Molecular Formula
C8H13NO
SMILES
C1C(CO1)C23CC(C2)(C3)N
InChI
InChI=1S/C8H13NO/c9-8-3-7(4-8,5-8)6-1-10-2-6/h6H,1-5,9H2
InChIKey
BKKUQULWIKORDZ-UHFFFAOYSA-N
Compound name
3-(oxetan-3-yl)bicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 147.0
[M+Na]+ 162.088938 149.0
[M-H]- 138.092444 152.2
[M+NH4]+ 157.133543 147.6
[M+K]+ 178.062878 156.3
[M+H-H2O]+ 122.096980 133.1
[M+HCOO]- 184.097921 156.7
[M+CH3COO]- 198.113571 222.0
[M+Na-2H]- 160.074386 152.0
[M]+ 139.09917142 171.1
[M]- 139.10026858 171.1
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

patents stripe