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
3
Annotation Hits

23
References

28951
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

literature stripe

Patent stripe

patents stripe