CID 67324931

4,4-dimethoxyoxan-3-amine

Structural Information

Molecular Formula
C7H15NO3
SMILES
COC1(CCOCC1N)OC
InChI
InChI=1S/C7H15NO3/c1-9-7(10-2)3-4-11-5-6(7)8/h6H,3-5,8H2,1-2H3
InChIKey
UTCWJKHFXGXOQU-UHFFFAOYSA-N
Compound name
4,4-dimethoxyoxan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

161.1052 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11248 133.0
[M+Na]+ 184.09442 139.1
[M-H]- 160.09792 136.5
[M+NH4]+ 179.13902 153.9
[M+K]+ 200.06836 140.6
[M+H-H2O]+ 144.10246 128.0
[M+HCOO]- 206.10340 154.0
[M+CH3COO]- 220.11905 177.3
[M+Na-2H]- 182.07987 140.1
[M]+ 161.10465 131.8
[M]- 161.10575 131.8
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

patents stripe