CID 18183206

1-(2-methyl-1,3-dioxolan-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC(C1(OCCO1)C)N
InChI
InChI=1S/C6H13NO2/c1-5(7)6(2)8-3-4-9-6/h5H,3-4,7H2,1-2H3
InChIKey
IXDJNJHGOQUYCG-UHFFFAOYSA-N
Compound name
1-(2-methyl-1,3-dioxolan-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

131.09464 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 127.2
[M+Na]+ 154.08386 133.4
[M-H]- 130.08736 131.3
[M+NH4]+ 149.12846 149.5
[M+K]+ 170.05780 135.8
[M+H-H2O]+ 114.09190 123.0
[M+HCOO]- 176.09284 148.3
[M+CH3COO]- 190.10849 171.7
[M+Na-2H]- 152.06931 133.8
[M]+ 131.09409 125.7
[M]- 131.09519 125.7
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