CID 4206597

12-amino-7-oxododecanoic acid

Structural Information

Molecular Formula
C12H23NO3
SMILES
C(CCC(=O)CCCCCN)CCC(=O)O
InChI
InChI=1S/C12H23NO3/c13-10-6-2-4-8-11(14)7-3-1-5-9-12(15)16/h1-10,13H2,(H,15,16)
InChIKey
ZYUIIFJKSLWWHG-UHFFFAOYSA-N
Compound name
12-amino-7-oxododecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1678 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 157.0
[M+Na]+ 252.15702 163.2
[M+NH4]+ 247.20162 161.8
[M+K]+ 268.13096 158.8
[M-H]- 228.16052 154.4
[M+Na-2H]- 250.14247 156.8
[M]+ 229.16725 156.5
[M]- 229.16835 156.5
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.