CID 165669542

4-(propan-2-yloxy)-2-azabicyclo[2.1.1]hexane hydrochloride

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(C)OC12CC(C1)NC2
InChI
InChI=1S/C8H15NO/c1-6(2)10-8-3-7(4-8)9-5-8/h6-7,9H,3-5H2,1-2H3
InChIKey
HNELKFQXVYELHU-UHFFFAOYSA-N
Compound name
4-propan-2-yloxy-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 140.3
[M+Na]+ 164.10459 145.8
[M-H]- 140.10809 138.9
[M+NH4]+ 159.14919 162.3
[M+K]+ 180.07853 147.0
[M+H-H2O]+ 124.11263 133.1
[M+HCOO]- 186.11357 155.4
[M+CH3COO]- 200.12922 178.0
[M+Na-2H]- 162.09004 146.4
[M]+ 141.11482 151.4
[M]- 141.11592 151.4
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.