CID 50990483

1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C9H13NO3
SMILES
C1CC(C1)(C(=O)NC2CC2)C(=O)O
InChI
InChI=1S/C9H13NO3/c11-7(10-6-2-3-6)9(8(12)13)4-1-5-9/h6H,1-5H2,(H,10,11)(H,12,13)
InChIKey
DEHYACBCPSCXRH-UHFFFAOYSA-N
Compound name
1-(cyclopropylcarbamoyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.096816 139.8
[M+Na]+ 206.078758 145.1
[M-H]- 182.082264 145.7
[M+NH4]+ 201.123363 149.1
[M+K]+ 222.052698 146.7
[M+H-H2O]+ 166.086800 130.0
[M+HCOO]- 228.087741 159.4
[M+CH3COO]- 242.103391 186.4
[M+Na-2H]- 204.064206 143.8
[M]+ 183.08899142 148.1
[M]- 183.09008858 148.1
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

No patent data available for this compound.