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

42
Patents

143.05824 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 132.2
[M+Na]+ 166.047458 136.8
[M-H]- 142.050964 134.0
[M+NH4]+ 161.092063 147.2
[M+K]+ 182.021398 139.6
[M+H-H2O]+ 126.055500 122.8
[M+HCOO]- 188.056441 151.9
[M+CH3COO]- 202.072091 175.9
[M+Na-2H]- 164.032906 135.7
[M]+ 143.05769142 137.3
[M]- 143.05878858 137.3
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