CID 154578292

2228264-91-1

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)NC1(CCC1)C2(CCC2)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-12(2,3)19-11(18)15-14(8-5-9-14)13(10(16)17)6-4-7-13/h4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
IEPGVSBXIYMYLG-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 167.6
[M+Na]+ 292.15194 167.8
[M-H]- 268.15544 171.6
[M+NH4]+ 287.19654 172.8
[M+K]+ 308.12588 173.1
[M+H-H2O]+ 252.15998 154.5
[M+HCOO]- 314.16092 181.0
[M+CH3COO]- 328.17657 206.1
[M+Na-2H]- 290.13739 169.3
[M]+ 269.16217 182.3
[M]- 269.16327 182.3
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.