CID 154814424

2550997-73-2

Structural Information

Molecular Formula
C9H17NO3
SMILES
CO[C@@H]1[C@H](COC12CCOCC2)N
InChI
InChI=1S/C9H17NO3/c1-11-8-7(10)6-13-9(8)2-4-12-5-3-9/h7-8H,2-6,10H2,1H3/t7-,8+/m0/s1
InChIKey
LIQVNWAHRALRRS-JGVFFNPUSA-N
Compound name
(3S,4R)-4-methoxy-1,8-dioxaspiro[4.5]decan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 139.8
[M+Na]+ 210.11007 145.1
[M-H]- 186.11357 145.6
[M+NH4]+ 205.15467 160.3
[M+K]+ 226.08401 146.4
[M+H-H2O]+ 170.11811 134.8
[M+HCOO]- 232.11905 158.4
[M+CH3COO]- 246.13470 180.2
[M+Na-2H]- 208.09552 145.5
[M]+ 187.12030 136.1
[M]- 187.12140 136.1
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

No patent data available for this compound.