CID 50989026

1-(methylcarbamoyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
CNC(=O)C1(CCC1)C(=O)O
InChI
InChI=1S/C7H11NO3/c1-8-5(9)7(6(10)11)3-2-4-7/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKey
FMRUUBKNZCITHU-UHFFFAOYSA-N
Compound name
1-(methylcarbamoyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

157.0739 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 135.9
[M+Na]+ 180.063118 140.1
[M-H]- 156.066624 138.1
[M+NH4]+ 175.107723 150.7
[M+K]+ 196.037058 143.1
[M+H-H2O]+ 140.071160 126.4
[M+HCOO]- 202.072101 155.9
[M+CH3COO]- 216.087751 178.7
[M+Na-2H]- 178.048566 140.0
[M]+ 157.07335142 142.3
[M]- 157.07444858 142.3
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