CID 165693393

Rac-(1r,5s)-3-azabicyclo[3.2.0]heptan-1-ol hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C[C@]2([C@@H]1CNC2)O
InChI
InChI=1S/C6H11NO/c8-6-2-1-5(6)3-7-4-6/h5,7-8H,1-4H2/t5-,6-/m0/s1
InChIKey
XSGGQEPWEZULLB-WDSKDSINSA-N
Compound name
(1R,5S)-3-azabicyclo[3.2.0]heptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 121.7
[M+Na]+ 136.07328 127.7
[M-H]- 112.07678 122.2
[M+NH4]+ 131.11788 139.9
[M+K]+ 152.04722 128.4
[M+H-H2O]+ 96.081320 113.1
[M+HCOO]- 158.08226 139.2
[M+CH3COO]- 172.09791 165.7
[M+Na-2H]- 134.05873 128.4
[M]+ 113.08351 125.5
[M]- 113.08461 125.5
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.