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

527
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

literature stripe

Patent stripe

patents stripe