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]+ 258.17000 156.3
[M+Na]+ 280.15194 158.6
[M+NH4]+ 275.19654 157.9
[M+K]+ 296.12588 158.7
[M-H]- 256.15544 155.7
[M+Na-2H]- 278.13739 157.6
[M]+ 257.16217 156.2
[M]- 257.16327 156.2
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.