CID 136873

4-amino-3-penten-2-one

Structural Information

Molecular Formula
C5H9NO
SMILES
CC(=CC(=O)C)N
InChI
InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3
InChIKey
OSLAYKKXCYSJSF-UHFFFAOYSA-N
Compound name
4-aminopent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

453
Patents

99.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 120.0
[M+Na]+ 122.05763 127.0
[M-H]- 98.061134 120.2
[M+NH4]+ 117.10223 142.7
[M+K]+ 138.03157 126.8
[M+H-H2O]+ 82.065670 115.7
[M+HCOO]- 144.06661 143.2
[M+CH3COO]- 158.08226 169.3
[M+Na-2H]- 120.04308 124.2
[M]+ 99.067861 117.7
[M]- 99.068959 117.7
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