CID 95566586

Rac-(1r,6r)-3-azabicyclo[4.1.0]heptan-6-ol hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CNC[C@H]2[C@@]1(C2)O
InChI
InChI=1S/C6H11NO/c8-6-1-2-7-4-5(6)3-6/h5,7-8H,1-4H2/t5-,6+/m0/s1
InChIKey
YXNPVBNVXFDPHF-NTSWFWBYSA-N
Compound name
(1S,6S)-3-azabicyclo[4.1.0]heptan-6-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 125.6
[M+Na]+ 136.07328 137.5
[M+NH4]+ 131.11788 136.6
[M+K]+ 152.04722 131.7
[M-H]- 112.07678 133.3
[M+Na-2H]- 134.05873 133.7
[M]+ 113.08351 130.6
[M]- 113.08461 130.6
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.