CID 3506622

4-(2-hydroxyethylamino)pent-3-en-2-one

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC(=CC(=O)C)NCCO
InChI
InChI=1S/C7H13NO2/c1-6(5-7(2)10)8-3-4-9/h5,8-9H,3-4H2,1-2H3
InChIKey
CNRDGDCLFLAOFB-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethylamino)pent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

143.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 132.6
[M+Na]+ 166.08386 138.2
[M-H]- 142.08736 131.4
[M+NH4]+ 161.12846 153.0
[M+K]+ 182.05780 137.4
[M+H-H2O]+ 126.09190 127.7
[M+HCOO]- 188.09284 154.4
[M+CH3COO]- 202.10849 175.5
[M+Na-2H]- 164.06931 136.2
[M]+ 143.09409 131.5
[M]- 143.09519 131.5
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

patents stripe