CID 13035392

62221-86-7

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CC(C(=O)C1)C(=O)N
InChI
InChI=1S/C6H9NO2/c7-6(9)4-2-1-3-5(4)8/h4H,1-3H2,(H2,7,9)
InChIKey
UEPCFCWEIKTKOZ-UHFFFAOYSA-N
Compound name
2-oxocyclopentane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

127.06333 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 124.7
[M+Na]+ 150.05255 131.4
[M-H]- 126.05605 127.7
[M+NH4]+ 145.09715 147.8
[M+K]+ 166.02649 130.7
[M+H-H2O]+ 110.06059 119.6
[M+HCOO]- 172.06153 148.1
[M+CH3COO]- 186.07718 171.4
[M+Na-2H]- 148.03800 127.5
[M]+ 127.06278 120.6
[M]- 127.06388 120.6
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