CID 67379818

1869328-74-4

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC1(CCC1)CC(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-9(10(15)16)8-13(4)6-5-7-13/h9H,5-8H2,1-4H3,(H,14,17)(H,15,16)
InChIKey
ATLGJNSAMLEGKP-UHFFFAOYSA-N
Compound name
3-(1-methylcyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

257.16272 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 168.2
[M+Na]+ 280.15194 169.2
[M+NH4]+ 275.19654 170.1
[M+K]+ 296.12588 167.2
[M-H]- 256.15544 163.1
[M+Na-2H]- 278.13739 167.2
[M]+ 257.16217 165.4
[M]- 257.16327 165.4
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