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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	232.22711	159.0
[M+Na]+	254.20905	166.3
[M+NH4]+	249.25365	165.3
[M+K]+	270.18299	162.9
[M-H]-	230.21255	157.4
[M+Na-2H]-	252.19450	160.9
[M]+	231.21928	159.5
[M]-	231.22038	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe