CID 53302291

1268521-78-3

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)N1CCCC(CC1)CC(=O)O
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-7-4-5-10(6-8-14)9-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKey
SEUSWUSUWUZJLG-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

257.16272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 157.2
[M+Na]+ 280.15194 162.6
[M+NH4]+ 275.19654 161.4
[M+K]+ 296.12588 161.6
[M-H]- 256.15544 154.8
[M+Na-2H]- 278.13739 158.4
[M]+ 257.16217 156.9
[M]- 257.16327 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

patents stripe