CID 47003607

3-azabicyclo[3.1.1]heptan-6-ol

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2CNCC1C2O
InChI
InChI=1S/C6H11NO/c8-6-4-1-5(6)3-7-2-4/h4-8H,1-3H2
InChIKey
BOTJOIYABJNMEW-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.1.1]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
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 128.7
[M+Na]+ 136.07328 133.6
[M-H]- 112.07678 124.1
[M+NH4]+ 131.11788 146.6
[M+K]+ 152.04722 134.7
[M+H-H2O]+ 96.081320 120.3
[M+HCOO]- 158.08226 139.6
[M+CH3COO]- 172.09791 139.4
[M+Na-2H]- 134.05873 139.3
[M]+ 113.08351 135.9
[M]- 113.08461 135.9
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