CID 69661

12-aminododecanoic acid

Structural Information

Molecular Formula
C12H25NO2
SMILES
C(CCCCCC(=O)O)CCCCCN
InChI
InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)
InChIKey
PBLZLIFKVPJDCO-UHFFFAOYSA-N
Compound name
12-aminododecanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

27415
Patents

215.18852 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.19580 156.3
[M+Na]+ 238.17774 159.7
[M-H]- 214.18124 153.4
[M+NH4]+ 233.22234 173.6
[M+K]+ 254.15168 157.4
[M+H-H2O]+ 198.18578 150.3
[M+HCOO]- 260.18672 176.6
[M+CH3COO]- 274.20237 190.7
[M+Na-2H]- 236.16319 157.4
[M]+ 215.18797 157.6
[M]- 215.18907 157.6
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.