CID 165986867

Rac-(1r,6r,7r)-2-azabicyclo[4.2.0]octan-7-ol hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C[C@@H]2[C@@H](C[C@H]2O)NC1
InChI
InChI=1S/C7H13NO/c9-7-4-6-5(7)2-1-3-8-6/h5-9H,1-4H2/t5-,6-,7-/m1/s1
InChIKey
QESJFRWJUUMBIH-FSDSQADBSA-N
Compound name
(1R,6R,7R)-2-azabicyclo[4.2.0]octan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 123.9
[M+Na]+ 150.08894 128.8
[M-H]- 126.09244 123.8
[M+NH4]+ 145.13354 138.0
[M+K]+ 166.06288 129.6
[M+H-H2O]+ 110.09698 113.8
[M+HCOO]- 172.09792 139.0
[M+CH3COO]- 186.11357 170.4
[M+Na-2H]- 148.07439 130.0
[M]+ 127.09917 126.2
[M]- 127.10027 126.2
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.