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]+ 172.096816 141.0
[M+Na]+ 194.078758 143.5
[M-H]- 170.082264 142.5
[M+NH4]+ 189.123363 153.0
[M+K]+ 210.052698 146.7
[M+H-H2O]+ 154.086800 129.6
[M+HCOO]- 216.087741 159.6
[M+CH3COO]- 230.103391 183.0
[M+Na-2H]- 192.064206 142.0
[M]+ 171.08899142 146.6
[M]- 171.09008858 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.