CID 121552811

2-methyl-2-{1,4,7-trioxaspiro[4.4]nonan-9-yl}propan-1-amine

Structural Information

Molecular Formula
C10H19NO3
SMILES
CC(C)(CN)C1COCC12OCCO2
InChI
InChI=1S/C10H19NO3/c1-9(2,6-11)8-5-12-7-10(8)13-3-4-14-10/h8H,3-7,11H2,1-2H3
InChIKey
UWHYSKFCPWYJPJ-UHFFFAOYSA-N
Compound name
2-methyl-2-(1,4,7-trioxaspiro[4.4]nonan-9-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.13649 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.14377 144.3
[M+Na]+ 224.12571 149.4
[M-H]- 200.12921 150.6
[M+NH4]+ 219.17031 164.4
[M+K]+ 240.09965 151.8
[M+H-H2O]+ 184.13375 141.1
[M+HCOO]- 246.13469 162.1
[M+CH3COO]- 260.15034 182.9
[M+Na-2H]- 222.11116 150.7
[M]+ 201.13594 142.8
[M]- 201.13704 142.8
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.