CID 307925

2-aminododecanoic acid

Structural Information

Molecular Formula
C12H25NO2
SMILES
CCCCCCCCCCC(C(=O)O)N
InChI
InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11H,2-10,13H2,1H3,(H,14,15)
InChIKey
QUBNFZFTFXTLKH-UHFFFAOYSA-N
Compound name
2-aminododecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6996
Patents

215.18852 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.19580 157.2
[M+Na]+ 238.17774 160.4
[M-H]- 214.18124 154.4
[M+NH4]+ 233.22234 174.5
[M+K]+ 254.15168 158.5
[M+H-H2O]+ 198.18578 151.3
[M+HCOO]- 260.18672 176.5
[M+CH3COO]- 274.20237 191.6
[M+Na-2H]- 236.16319 157.0
[M]+ 215.18797 157.8
[M]- 215.18907 157.8
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.