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

3
Patents

157.0739 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 135.9
[M+Na]+ 180.06312 140.1
[M-H]- 156.06662 138.1
[M+NH4]+ 175.10772 150.7
[M+K]+ 196.03706 143.1
[M+H-H2O]+ 140.07116 126.4
[M+HCOO]- 202.07210 155.9
[M+CH3COO]- 216.08775 178.7
[M+Na-2H]- 178.04857 140.0
[M]+ 157.07335 142.3
[M]- 157.07445 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