CID 325104

63478-84-2

Structural Information

Molecular Formula
C10H19NO3
SMILES
C1CCC2(CC1)NC(CO2)(CO)CO
InChI
InChI=1S/C10H19NO3/c12-6-9(7-13)8-14-10(11-9)4-2-1-3-5-10/h11-13H,1-8H2
InChIKey
KAEFUAJBLZQMTF-UHFFFAOYSA-N
Compound name
[3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

201.13649 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.14377 146.5
[M+Na]+ 224.12571 151.0
[M-H]- 200.12921 146.5
[M+NH4]+ 219.17031 166.5
[M+K]+ 240.09965 149.1
[M+H-H2O]+ 184.13375 141.5
[M+HCOO]- 246.13469 159.5
[M+CH3COO]- 260.15034 172.6
[M+Na-2H]- 222.11116 151.6
[M]+ 201.13594 139.2
[M]- 201.13704 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe