CID 167717559

[8-(aminomethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol

Structural Information

Molecular Formula
C10H19NO3
SMILES
C1CC2(CCC1(CN)CO)OCCO2
InChI
InChI=1S/C10H19NO3/c11-7-9(8-12)1-3-10(4-2-9)13-5-6-14-10/h12H,1-8,11H2
InChIKey
NQGRXPNZCDXKJJ-UHFFFAOYSA-N
Compound name
[8-(aminomethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.13649 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.14377 144.2
[M+Na]+ 224.12571 148.7
[M-H]- 200.12921 148.4
[M+NH4]+ 219.17031 165.0
[M+K]+ 240.09965 149.1
[M+H-H2O]+ 184.13375 139.7
[M+HCOO]- 246.13469 160.9
[M+CH3COO]- 260.15034 179.4
[M+Na-2H]- 222.11116 150.7
[M]+ 201.13594 139.0
[M]- 201.13704 139.0
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.