CID 78623

N,n-dimethylformamide dineopentyl acetal

Structural Information

Molecular Formula
C13H29NO2
SMILES
CC(C)(C)COC(N(C)C)OCC(C)(C)C
InChI
InChI=1S/C13H29NO2/c1-12(2,3)9-15-11(14(7)8)16-10-13(4,5)6/h11H,9-10H2,1-8H3
InChIKey
KEXFRBIOHPDZQM-UHFFFAOYSA-N
Compound name
1,1-bis(2,2-dimethylpropoxy)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

551
Patents

231.21983 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.22711 159.5
[M+Na]+ 254.20905 164.1
[M-H]- 230.21255 160.9
[M+NH4]+ 249.25365 178.5
[M+K]+ 270.18299 165.7
[M+H-H2O]+ 214.21709 154.6
[M+HCOO]- 276.21803 179.1
[M+CH3COO]- 290.23368 201.0
[M+Na-2H]- 252.19450 162.9
[M]+ 231.21928 165.1
[M]- 231.22038 165.1
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.