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]+ 162.112476 132.3
[M+Na]+ 184.094418 139.2
[M-H]- 160.097924 135.9
[M+NH4]+ 179.139023 155.0
[M+K]+ 200.068358 140.5
[M+H-H2O]+ 144.102460 127.8
[M+HCOO]- 206.103401 155.3
[M+CH3COO]- 220.119051 177.0
[M+Na-2H]- 182.079866 138.3
[M]+ 161.10465142 133.1
[M]- 161.10574858 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.