CID 22556529

2-(boc-amino)oct-7-enoic acid

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)NC(CCCCC=C)C(=O)O
InChI
InChI=1S/C13H23NO4/c1-5-6-7-8-9-10(11(15)16)14-12(17)18-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,14,17)(H,15,16)
InChIKey
LFGCDZGIEOJPMD-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]oct-7-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

257.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 163.2
[M+Na]+ 280.15194 166.9
[M-H]- 256.15544 161.4
[M+NH4]+ 275.19654 179.1
[M+K]+ 296.12588 166.1
[M+H-H2O]+ 240.15998 157.9
[M+HCOO]- 302.16092 181.3
[M+CH3COO]- 316.17657 196.7
[M+Na-2H]- 278.13739 163.6
[M]+ 257.16217 165.4
[M]- 257.16327 165.4
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