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]+ 184.09682 139.8
[M+Na]+ 206.07876 145.1
[M-H]- 182.08226 145.7
[M+NH4]+ 201.12336 149.1
[M+K]+ 222.05270 146.7
[M+H-H2O]+ 166.08680 130.0
[M+HCOO]- 228.08774 159.4
[M+CH3COO]- 242.10339 186.4
[M+Na-2H]- 204.06421 143.8
[M]+ 183.08899 148.1
[M]- 183.09009 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.