CID 70224725

1375471-83-2

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)CC(=O)O
InChI
InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-10-4-5-11(15)7-9(6-10)8-12(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKey
HMKCWYNKAMRVGY-UHFFFAOYSA-N
Compound name
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

269.16272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.169996 165.3
[M+Na]+ 292.151938 169.9
[M-H]- 268.155444 164.7
[M+NH4]+ 287.196543 183.3
[M+K]+ 308.125878 168.5
[M+H-H2O]+ 252.159980 160.5
[M+HCOO]- 314.160921 177.6
[M+CH3COO]- 328.176571 195.5
[M+Na-2H]- 290.137386 165.8
[M]+ 269.16217142 164.7
[M]- 269.16326858 164.7
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