CID 146098501

Rac-(1r,6s)-2-azabicyclo[4.2.0]octan-5-ol hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C[C@@H]2[C@H]1C(CCN2)O
InChI
InChI=1S/C7H13NO/c9-7-3-4-8-6-2-1-5(6)7/h5-9H,1-4H2/t5-,6+,7?/m0/s1
InChIKey
SVALBLDPKVJOCR-GFCOJPQKSA-N
Compound name
(1R,6S)-2-azabicyclo[4.2.0]octan-5-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]+ 128.106996 123.9
[M+Na]+ 150.088938 128.8
[M-H]- 126.092444 123.8
[M+NH4]+ 145.133543 138.0
[M+K]+ 166.062878 129.6
[M+H-H2O]+ 110.096980 113.8
[M+HCOO]- 172.097921 139.0
[M+CH3COO]- 186.113571 170.4
[M+Na-2H]- 148.074386 130.0
[M]+ 127.09917142 126.2
[M]- 127.10026858 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.