CID 81773052

Potassium 2-(dimethylamino)pent-4-enoate

Structural Information

Molecular Formula
C7H13NO2
SMILES
CN(C)C(CC=C)C(=O)O
InChI
InChI=1S/C7H13NO2/c1-4-5-6(7(9)10)8(2)3/h4,6H,1,5H2,2-3H3,(H,9,10)
InChIKey
BBNCGVJMVZHEFU-UHFFFAOYSA-N
Compound name
2-(dimethylamino)pent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

473
Patents

143.09464 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 131.7
[M+Na]+ 166.08386 137.5
[M-H]- 142.08736 132.0
[M+NH4]+ 161.12846 152.8
[M+K]+ 182.05780 138.1
[M+H-H2O]+ 126.09190 126.8
[M+HCOO]- 188.09284 154.1
[M+CH3COO]- 202.10849 179.7
[M+Na-2H]- 164.06931 134.7
[M]+ 143.09409 132.1
[M]- 143.09519 132.1
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

patents stripe