CID 56962214

2-azaspiro[3.3]heptan-6-ol hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C(CC12CNC2)O
InChI
InChI=1S/C6H11NO/c8-5-1-6(2-5)3-7-4-6/h5,7-8H,1-4H2
InChIKey
JXSAWOLLGHOTJJ-UHFFFAOYSA-N
Compound name
2-azaspiro[3.3]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
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 117.5
[M+Na]+ 136.07328 122.2
[M-H]- 112.07678 119.5
[M+NH4]+ 131.11788 126.4
[M+K]+ 152.04722 125.9
[M+H-H2O]+ 96.081320 104.8
[M+HCOO]- 158.08226 133.2
[M+CH3COO]- 172.09791 177.3
[M+Na-2H]- 134.05873 124.5
[M]+ 113.08351 129.3
[M]- 113.08461 129.3
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