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]+ 188.128126 139.8
[M+Na]+ 210.110068 145.1
[M-H]- 186.113574 145.6
[M+NH4]+ 205.154673 160.3
[M+K]+ 226.084008 146.4
[M+H-H2O]+ 170.118110 134.8
[M+HCOO]- 232.119051 158.4
[M+CH3COO]- 246.134701 180.2
[M+Na-2H]- 208.095516 145.5
[M]+ 187.12030142 136.1
[M]- 187.12139858 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.