CID 84071651

1702863-52-2

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)N1CCCCCCC1C(=O)O
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-9-7-5-4-6-8-10(14)11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKey
LQBXUNZLAVQJTR-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]azocane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.16272 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 158.1
[M+Na]+ 280.151938 161.6
[M-H]- 256.155444 158.4
[M+NH4]+ 275.196543 164.9
[M+K]+ 296.125878 162.4
[M+H-H2O]+ 240.159980 154.4
[M+HCOO]- 302.160921 164.2
[M+CH3COO]- 316.176571 226.0
[M+Na-2H]- 278.137386 156.5
[M]+ 257.16217142 156.9
[M]- 257.16326858 156.9
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.