CID 10855394

2-(aminomethyl)-1,3-dioxolane

Structural Information

Molecular Formula
C4H9NO2
SMILES
C1COC(O1)CN
InChI
InChI=1S/C4H9NO2/c5-3-4-6-1-2-7-4/h4H,1-3,5H2
InChIKey
QXXRLUXAOFVOTE-UHFFFAOYSA-N
Compound name
1,3-dioxolan-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

390
Patents

103.06333 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 118.3
[M+Na]+ 126.05255 127.6
[M+NH4]+ 121.09715 126.9
[M+K]+ 142.02649 125.6
[M-H]- 102.05605 122.2
[M+Na-2H]- 124.03800 122.0
[M]+ 103.06278 120.5
[M]- 103.06388 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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