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

23
Patents

257.16272 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 167.3
[M+Na]+ 280.151938 169.0
[M-H]- 256.155444 168.6
[M+NH4]+ 275.196543 178.2
[M+K]+ 296.125878 172.3
[M+H-H2O]+ 240.159980 157.4
[M+HCOO]- 302.160921 183.0
[M+CH3COO]- 316.176571 198.2
[M+Na-2H]- 278.137386 167.9
[M]+ 257.16217142 175.9
[M]- 257.16326858 175.9
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