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

0
Patents

139.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 147.0
[M+Na]+ 162.08894 149.0
[M-H]- 138.09244 152.2
[M+NH4]+ 157.13354 147.6
[M+K]+ 178.06288 156.3
[M+H-H2O]+ 122.09698 133.1
[M+HCOO]- 184.09792 156.7
[M+CH3COO]- 198.11357 222.0
[M+Na-2H]- 160.07439 152.0
[M]+ 139.09917 171.1
[M]- 139.10027 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

No patent data available for this compound.