CID 86812214

(2r)-3-cyclobutyl-2-acetamidopropanoic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(=O)N[C@H](CC1CCC1)C(=O)O
InChI
InChI=1S/C9H15NO3/c1-6(11)10-8(9(12)13)5-7-3-2-4-7/h7-8H,2-5H2,1H3,(H,10,11)(H,12,13)/t8-/m1/s1
InChIKey
DRXDVRLDPPYAFI-MRVPVSSYSA-N
Compound name
(2R)-2-acetamido-3-cyclobutylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 145.7
[M+Na]+ 208.09442 147.8
[M-H]- 184.09792 147.0
[M+NH4]+ 203.13902 157.2
[M+K]+ 224.06836 150.7
[M+H-H2O]+ 168.10246 134.1
[M+HCOO]- 230.10340 164.0
[M+CH3COO]- 244.11905 185.9
[M+Na-2H]- 206.07987 146.2
[M]+ 185.10465 151.7
[M]- 185.10575 151.7
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

No patent data available for this compound.