CID 21475391

3-azabicyclo[3.2.0]heptan-6-ol

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2CNCC2C1O
InChI
InChI=1S/C6H11NO/c8-6-1-4-2-7-3-5(4)6/h4-8H,1-3H2
InChIKey
XFBQQBXIYXFYKY-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.2.0]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

113.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 119.7
[M+Na]+ 136.07328 125.6
[M-H]- 112.07678 120.1
[M+NH4]+ 131.11788 136.2
[M+K]+ 152.04722 126.5
[M+H-H2O]+ 96.081320 110.3
[M+HCOO]- 158.08226 137.2
[M+CH3COO]- 172.09791 167.2
[M+Na-2H]- 134.05873 124.8
[M]+ 113.08351 123.6
[M]- 113.08461 123.6
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

patents stripe