CID 272684

N,n,5,5-tetramethyl-1,3-dioxan-2-amine

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC1(COC(OC1)N(C)C)C
InChI
InChI=1S/C8H17NO2/c1-8(2)5-10-7(9(3)4)11-6-8/h7H,5-6H2,1-4H3
InChIKey
OQVXZYBHZOTQHN-UHFFFAOYSA-N
Compound name
N,N,5,5-tetramethyl-1,3-dioxan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

159.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 134.6
[M+Na]+ 182.115148 140.5
[M-H]- 158.118654 140.7
[M+NH4]+ 177.159753 155.3
[M+K]+ 198.089088 144.1
[M+H-H2O]+ 142.123190 129.6
[M+HCOO]- 204.124131 155.2
[M+CH3COO]- 218.139781 182.6
[M+Na-2H]- 180.100596 142.3
[M]+ 159.12538142 135.1
[M]- 159.12647858 135.1
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

patents stripe