CID 11378556

845621-11-6

Structural Information

Molecular Formula
C6H9NO3
SMILES
C1CC(C1)(C(=O)N)C(=O)O
InChI
InChI=1S/C6H9NO3/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H2,7,8)(H,9,10)
InChIKey
IMVNGQDQHJICRV-UHFFFAOYSA-N
Compound name
1-carbamoylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

143.05824 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 134.4
[M+Na]+ 166.04746 137.5
[M+NH4]+ 161.09206 138.1
[M+K]+ 182.02140 134.9
[M-H]- 142.05096 130.8
[M+Na-2H]- 164.03291 135.6
[M]+ 143.05769 132.2
[M]- 143.05879 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe