CID 139022458

3-azabicyclo[3.1.1]heptan-1-ol hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C2CC1(CNC2)O
InChI
InChI=1S/C6H11NO/c8-6-1-5(2-6)3-7-4-6/h5,7-8H,1-4H2
InChIKey
LSSWTAXATYJJOT-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.1.1]heptan-1-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 131.6
[M+Na]+ 136.07328 136.8
[M-H]- 112.07678 127.2
[M+NH4]+ 131.11788 151.3
[M+K]+ 152.04722 137.6
[M+H-H2O]+ 96.081320 123.5
[M+HCOO]- 158.08226 142.5
[M+CH3COO]- 172.09791 142.4
[M+Na-2H]- 134.05873 143.5
[M]+ 113.08351 138.8
[M]- 113.08461 138.8
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.