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]+ 168.138286 144.9
[M+Na]+ 190.120228 147.0
[M-H]- 166.123734 149.9
[M+NH4]+ 185.164833 149.9
[M+K]+ 206.094168 153.6
[M+H-H2O]+ 150.128270 130.8
[M+HCOO]- 212.129211 155.8
[M+CH3COO]- 226.144861 208.1
[M+Na-2H]- 188.105676 151.9
[M]+ 167.13046142 165.5
[M]- 167.13155858 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.