CID 55263053

1,4,8-trioxaspiro[4.5]decan-2-ylmethanamine

Structural Information

Molecular Formula
C8H15NO3
SMILES
C1COCCC12OCC(O2)CN
InChI
InChI=1S/C8H15NO3/c9-5-7-6-11-8(12-7)1-3-10-4-2-8/h7H,1-6,9H2
InChIKey
MIMPOMSJCKJTOK-UHFFFAOYSA-N
Compound name
1,4,8-trioxaspiro[4.5]decan-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 136.2
[M+Na]+ 196.09442 141.0
[M-H]- 172.09792 142.4
[M+NH4]+ 191.13902 155.5
[M+K]+ 212.06836 143.4
[M+H-H2O]+ 156.10246 131.3
[M+HCOO]- 218.10340 154.1
[M+CH3COO]- 232.11905 176.5
[M+Na-2H]- 194.07987 143.7
[M]+ 173.10465 132.3
[M]- 173.10575 132.3
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.