CID 266964

72031-11-9

Structural Information

Molecular Formula
C9H17NO3
SMILES
C1CCC2(C1)NC(CO2)(CO)CO
InChI
InChI=1S/C9H17NO3/c11-5-8(6-12)7-13-9(10-8)3-1-2-4-9/h10-12H,1-7H2
InChIKey
IEUAZNHOIZPQER-UHFFFAOYSA-N
Compound name
[3-(hydroxymethyl)-1-oxa-4-azaspiro[4.4]nonan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

187.12085 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 141.9
[M+Na]+ 210.11007 147.5
[M-H]- 186.11357 142.4
[M+NH4]+ 205.15467 164.2
[M+K]+ 226.08401 145.8
[M+H-H2O]+ 170.11811 137.7
[M+HCOO]- 232.11905 157.4
[M+CH3COO]- 246.13470 169.6
[M+Na-2H]- 208.09552 146.2
[M]+ 187.12030 136.4
[M]- 187.12140 136.4
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