CID 165793161

3-(oxan-4-yl)bicyclo[1.1.1]pentan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H17NO
SMILES
C1COCCC1C23CC(C2)(C3)N
InChI
InChI=1S/C10H17NO/c11-10-5-9(6-10,7-10)8-1-3-12-4-2-8/h8H,1-7,11H2
InChIKey
GFPKBTQUZMOILW-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)bicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.13101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 144.9
[M+Na]+ 190.12023 147.0
[M-H]- 166.12373 149.9
[M+NH4]+ 185.16483 149.9
[M+K]+ 206.09417 153.6
[M+H-H2O]+ 150.12827 130.8
[M+HCOO]- 212.12921 155.8
[M+CH3COO]- 226.14486 208.1
[M+Na-2H]- 188.10568 151.9
[M]+ 167.13046 165.5
[M]- 167.13156 165.5
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.