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

7018
Patents

215.18852 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.195796 157.2
[M+Na]+ 238.177738 160.4
[M-H]- 214.181244 154.4
[M+NH4]+ 233.222343 174.5
[M+K]+ 254.151678 158.5
[M+H-H2O]+ 198.185780 151.3
[M+HCOO]- 260.186721 176.5
[M+CH3COO]- 274.202371 191.6
[M+Na-2H]- 236.163186 157.0
[M]+ 215.18797142 157.8
[M]- 215.18906858 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

literature stripe

Patent stripe

patents stripe