CID 88554

20465-98-9

Structural Information

Molecular Formula
C16H32N2O3
SMILES
C(CCCCC(=O)O)CCCC(=O)NCCCCCCN
InChI
InChI=1S/C16H32N2O3/c17-13-9-5-6-10-14-18-15(19)11-7-3-1-2-4-8-12-16(20)21/h1-14,17H2,(H,18,19)(H,20,21)
InChIKey
ZTBICKKYGNWYJO-UHFFFAOYSA-N
Compound name
10-(6-aminohexylamino)-10-oxodecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.2413 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.248576 179.1
[M+Na]+ 323.230518 179.9
[M-H]- 299.234024 175.5
[M+NH4]+ 318.275123 192.4
[M+K]+ 339.204458 177.1
[M+H-H2O]+ 283.238560 171.6
[M+HCOO]- 345.239501 198.5
[M+CH3COO]- 359.255151 209.3
[M+Na-2H]- 321.215966 177.3
[M]+ 300.24075142 181.0
[M]- 300.24184858 181.0
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.