CID 16775400

2-(cyclobutylformamido)propanoic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC(C(=O)O)NC(=O)C1CCC1
InChI
InChI=1S/C8H13NO3/c1-5(8(11)12)9-7(10)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKey
DDOSHTXABJZKFX-UHFFFAOYSA-N
Compound name
2-(cyclobutanecarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 141.0
[M+Na]+ 194.07876 143.5
[M-H]- 170.08226 142.5
[M+NH4]+ 189.12336 153.0
[M+K]+ 210.05270 146.7
[M+H-H2O]+ 154.08680 129.6
[M+HCOO]- 216.08774 159.6
[M+CH3COO]- 230.10339 183.0
[M+Na-2H]- 192.06421 142.0
[M]+ 171.08899 146.6
[M]- 171.09009 146.6
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.