CID 115071689

1897818-27-7

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)NC1(CCC1)CCCC(=O)O
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-13(8-5-9-13)7-4-6-10(15)16/h4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
SKEZPANQGCSFHC-UHFFFAOYSA-N
Compound name
4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.16272 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 166.1
[M+Na]+ 280.151938 168.0
[M-H]- 256.155444 167.3
[M+NH4]+ 275.196543 177.1
[M+K]+ 296.125878 170.7
[M+H-H2O]+ 240.159980 156.0
[M+HCOO]- 302.160921 182.8
[M+CH3COO]- 316.176571 197.3
[M+Na-2H]- 278.137386 168.0
[M]+ 257.16217142 175.3
[M]- 257.16326858 175.3
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.