CID 410137

2-aminocyclopentan-1-one hydrochloride

Structural Information

Molecular Formula
C5H9NO
SMILES
C1CC(C(=O)C1)N
InChI
InChI=1S/C5H9NO/c6-4-2-1-3-5(4)7/h4H,1-3,6H2
InChIKey
XBPWUNNYJOLFGX-UHFFFAOYSA-N
Compound name
2-aminocyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

109
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 117.7
[M+Na]+ 122.05763 125.0
[M-H]- 98.061134 120.9
[M+NH4]+ 117.10223 142.2
[M+K]+ 138.03157 124.2
[M+H-H2O]+ 82.065670 113.0
[M+HCOO]- 144.06661 142.1
[M+CH3COO]- 158.08226 166.3
[M+Na-2H]- 120.04308 122.4
[M]+ 99.067861 113.2
[M]- 99.068959 113.2
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