CID 126689100

[(8r)-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]methanol

Structural Information

Molecular Formula
C7H13NO3
SMILES
C1COC2(O1)C[C@@H](NC2)CO
InChI
InChI=1S/C7H13NO3/c9-4-6-3-7(5-8-6)10-1-2-11-7/h6,8-9H,1-5H2/t6-/m1/s1
InChIKey
JXSHAUHCKJCDDM-ZCFIWIBFSA-N
Compound name
[(8R)-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

159.08954 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 132.4
[M+Na]+ 182.07876 138.3
[M-H]- 158.08226 134.7
[M+NH4]+ 177.12336 153.2
[M+K]+ 198.05270 138.8
[M+H-H2O]+ 142.08680 127.9
[M+HCOO]- 204.08774 149.1
[M+CH3COO]- 218.10339 166.5
[M+Na-2H]- 180.06421 137.6
[M]+ 159.08899 128.1
[M]- 159.09009 128.1
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