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

37
Patents

157.0739 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 134.4
[M+Na]+ 180.06312 138.6
[M-H]- 156.06662 136.5
[M+NH4]+ 175.10772 147.5
[M+K]+ 196.03706 141.5
[M+H-H2O]+ 140.07116 123.6
[M+HCOO]- 202.07210 154.4
[M+CH3COO]- 216.08775 180.3
[M+Na-2H]- 178.04857 136.7
[M]+ 157.07335 140.7
[M]- 157.07445 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