CID 12291440

3-aminocyclopent-2-en-1-one

Structural Information

Molecular Formula
C5H7NO
SMILES
C1CC(=O)C=C1N
InChI
InChI=1S/C5H7NO/c6-4-1-2-5(7)3-4/h3H,1-2,6H2
InChIKey
LSROXAYPMFICCA-UHFFFAOYSA-N
Compound name
3-aminocyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

97.052765 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 115.6
[M+Na]+ 120.04198 123.9
[M-H]- 96.045489 119.1
[M+NH4]+ 115.08659 140.2
[M+K]+ 136.01592 122.9
[M+H-H2O]+ 80.050025 110.8
[M+HCOO]- 142.05097 141.5
[M+CH3COO]- 156.06662 165.9
[M+Na-2H]- 118.02743 121.3
[M]+ 97.052216 112.6
[M]- 97.053314 112.6
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