CID 122154868

2-amino-3-(1-methoxycyclobutyl)propanoic acid

Structural Information

Molecular Formula
C8H15NO3
SMILES
COC1(CCC1)CC(C(=O)O)N
InChI
InChI=1S/C8H15NO3/c1-12-8(3-2-4-8)5-6(9)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)
InChIKey
QKFLWCDALDONOJ-UHFFFAOYSA-N
Compound name
2-amino-3-(1-methoxycyclobutyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 142.6
[M+Na]+ 196.09442 146.0
[M-H]- 172.09792 143.9
[M+NH4]+ 191.13902 156.4
[M+K]+ 212.06836 148.9
[M+H-H2O]+ 156.10246 132.7
[M+HCOO]- 218.10340 161.4
[M+CH3COO]- 232.11905 182.6
[M+Na-2H]- 194.07987 145.0
[M]+ 173.10465 149.0
[M]- 173.10575 149.0
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.