CID 68221108

3-acetamidocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
CC(=O)NC1CC(C1)C(=O)O
InChI
InChI=1S/C7H11NO3/c1-4(9)8-6-2-5(3-6)7(10)11/h5-6H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKey
HWBCQIAPJGSVJG-UHFFFAOYSA-N
Compound name
3-acetamidocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

157.0739 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 134.4
[M+Na]+ 180.063118 138.6
[M-H]- 156.066624 136.5
[M+NH4]+ 175.107723 147.5
[M+K]+ 196.037058 141.5
[M+H-H2O]+ 140.071160 123.6
[M+HCOO]- 202.072101 154.4
[M+CH3COO]- 216.087751 180.3
[M+Na-2H]- 178.048566 136.7
[M]+ 157.07335142 140.7
[M]- 157.07444858 140.7
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