CID 117771421

1-azaspiro[3.3]heptan-6-ol

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CNC12CC(C2)O
InChI
InChI=1S/C6H11NO/c8-5-3-6(4-5)1-2-7-6/h5,7-8H,1-4H2
InChIKey
QQIZPINZVQELRS-UHFFFAOYSA-N
Compound name
1-azaspiro[3.3]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

113.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 117.5
[M+Na]+ 136.073278 122.2
[M-H]- 112.076784 119.5
[M+NH4]+ 131.117883 126.4
[M+K]+ 152.047218 125.9
[M+H-H2O]+ 96.081320 104.8
[M+HCOO]- 158.082261 133.2
[M+CH3COO]- 172.097911 177.3
[M+Na-2H]- 134.058726 124.5
[M]+ 113.08351142 129.3
[M]- 113.08460858 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