CID 155858541

2580249-38-1

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1CCC2CC1(C2)CCC(=O)O
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-7-5-10-8-14(15,9-10)6-4-11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKey
ULZFPYATOQJHOF-UHFFFAOYSA-N
Compound name
3-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.1]heptan-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 180.4
[M+Na]+ 292.15194 182.7
[M-H]- 268.15544 175.8
[M+NH4]+ 287.19654 194.1
[M+K]+ 308.12588 184.8
[M+H-H2O]+ 252.15998 171.5
[M+HCOO]- 314.16092 186.6
[M+CH3COO]- 328.17657 201.6
[M+Na-2H]- 290.13739 186.3
[M]+ 269.16217 192.9
[M]- 269.16327 192.9
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

No patent data available for this compound.