CID 10855394

1-(1,3-dioxolan-2-yl)methanamine

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

517
Patents

103.06333 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 118.2
[M+Na]+ 126.052548 124.6
[M-H]- 102.056054 122.2
[M+NH4]+ 121.097153 139.6
[M+K]+ 142.026488 126.9
[M+H-H2O]+ 86.060590 113.3
[M+HCOO]- 148.061531 141.0
[M+CH3COO]- 162.077181 165.2
[M+Na-2H]- 124.037996 126.0
[M]+ 103.06278142 116.3
[M]- 103.06387858 116.3
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

patents stripe