CID 165737838

1-(4,4-dimethoxyoxolan-2-yl)methanamine

Structural Information

Molecular Formula
C7H15NO3
SMILES
COC1(CC(OC1)CN)OC
InChI
InChI=1S/C7H15NO3/c1-9-7(10-2)3-6(4-8)11-5-7/h6H,3-5,8H2,1-2H3
InChIKey
RTLRFNGMLKUKNN-UHFFFAOYSA-N
Compound name
(4,4-dimethoxyoxolan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 132.3
[M+Na]+ 184.09442 139.2
[M-H]- 160.09792 135.9
[M+NH4]+ 179.13902 155.0
[M+K]+ 200.06836 140.5
[M+H-H2O]+ 144.10246 127.8
[M+HCOO]- 206.10340 155.3
[M+CH3COO]- 220.11905 177.0
[M+Na-2H]- 182.07987 138.3
[M]+ 161.10465 133.1
[M]- 161.10575 133.1
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.