CID 55263053

1018603-76-3

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]+ 174.112476 136.2
[M+Na]+ 196.094418 141.0
[M-H]- 172.097924 142.4
[M+NH4]+ 191.139023 155.5
[M+K]+ 212.068358 143.4
[M+H-H2O]+ 156.102460 131.3
[M+HCOO]- 218.103401 154.1
[M+CH3COO]- 232.119051 176.5
[M+Na-2H]- 194.079866 143.7
[M]+ 173.10465142 132.3
[M]- 173.10574858 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.