CID 21975567

2-(n-methyl-2-aminoethyl)-1,3-dioxolane

Structural Information

Molecular Formula
C6H13NO2
SMILES
CNCCC1OCCO1
InChI
InChI=1S/C6H13NO2/c1-7-3-2-6-8-4-5-9-6/h6-7H,2-5H2,1H3
InChIKey
ZUUQKDDUUOFCNP-UHFFFAOYSA-N
Compound name
2-(1,3-dioxolan-2-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

131.09464 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 127.3
[M+Na]+ 154.083858 132.9
[M-H]- 130.087364 131.5
[M+NH4]+ 149.128463 147.9
[M+K]+ 170.057798 135.0
[M+H-H2O]+ 114.091900 122.1
[M+HCOO]- 176.092841 150.1
[M+CH3COO]- 190.108491 172.0
[M+Na-2H]- 152.069306 135.0
[M]+ 131.09409142 127.2
[M]- 131.09518858 127.2
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